data_2dhj_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 2dhj _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 ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.68 -47.85 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -149.29 158.98 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.45 148.81 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.24 155.03 8.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.407 ' C ' ' HG ' ' A' ' 15' ' ' LEU . 77.8 m95 -68.73 131.26 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD12 ' CE2' ' A' ' 108' ' ' TRP . 11.1 mt -152.57 158.2 42.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 83.5 m-70 -91.3 111.3 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -97.1 110.81 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.509 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 62.7 ttt-85 -118.93 95.66 49.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.81 143.1 49.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.63 -39.91 26.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.548 ' CH2' HD11 ' A' ' 96' ' ' LEU . 93.5 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -104.73 132.81 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.474 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 40.9 tt0 -98.95 109.8 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.0 ptm -149.05 132.72 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' TYR . 23.0 t80 -47.86 115.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t -104.11 124.91 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -121.33 137.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.1 tp -106.54 106.83 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -116.48 105.81 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.34 -104.53 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -126.86 13.87 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.6 m -124.41 144.62 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.1 110.95 23.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -99.82 113.15 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mp -94.09 158.41 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 51.5 m-85 -151.73 133.47 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -144.74 163.32 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 tttt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.743 0.226 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 mt -115.63 134.89 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -83.13 134.2 35.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.05 -1.83 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -42.34 -38.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.52 60.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.83 176.21 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mp -137.64 105.44 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 74' ' ' ASP . 42.6 mt -92.08 144.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.443 ' N ' HG23 ' A' ' 73' ' ' ILE . 15.9 m-20 -161.2 117.38 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' SER . 70.5 mt -37.5 95.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' ILE . 47.8 t -34.84 149.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -45.74 153.66 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -94.97 44.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -113.75 -31.49 6.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' ARG . 9.0 t -70.78 126.68 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -42.7 -24.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 35' ' ' TRP . 38.5 mtt85 -72.66 122.33 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -100.67 151.42 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 51.0 m-20 66.18 39.93 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.5 p -110.7 130.63 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.2 p90 -109.88 140.4 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -98.35 125.7 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 tt -118.38 131.74 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.1 m -124.32 111.08 15.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.4 p -92.94 149.36 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.7 p -53.27 -23.12 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.4 -54.35 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 177.64 8.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -125.08 150.84 46.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -163.18 178.82 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.548 HD11 ' CH2' ' A' ' 35' ' ' TRP . 9.4 mt -124.69 168.35 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.519 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.9 m-85 -153.04 121.97 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 59.7 tt0 -102.52 159.48 15.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.52 175.44 9.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -93.49 -64.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.9 138.74 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -42.28 -54.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.66 -42.17 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.49 -46.41 76.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 21.4 ttp -54.86 -57.24 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.0 mt -46.89 -45.95 20.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.42 -54.07 15.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.508 ' CE2' HD12 ' A' ' 15' ' ' LEU . 42.6 m95 -55.88 -62.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 82.0 mt -39.38 -48.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' THR . 19.4 ttpt -63.78 -66.07 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' LYS . 88.6 m -37.19 -57.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 115' ' ' SER . 14.8 mt -60.18 -63.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.76 -30.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.15 -39.18 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' ILE . 3.6 m -68.2 -51.54 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.9 p -58.36 -51.73 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.5 t30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.807 0.337 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -49.73 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' HB3' ' CZ3' ' A' ' 108' ' ' TRP . 25.4 tttp -150.18 165.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -165.03 161.67 19.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 159.97 9.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -70.02 111.07 5.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.453 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 38.5 mt -131.3 141.35 49.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.496 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 58.6 m-70 -79.93 107.83 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.17 110.09 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -125.01 97.91 37.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.78 141.6 45.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.59 -45.34 53.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.823 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 70.9 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -114.6 96.01 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -69.29 113.07 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.7 ptm -150.18 142.78 24.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' TYR . 11.5 t80 -54.49 110.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.7 t -99.5 127.48 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.34 131.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.07 105.17 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -113.67 97.88 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.72 -99.29 1.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.4 p-80 -126.34 14.07 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 m -122.29 143.38 49.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -108.93 106.89 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -97.32 106.47 18.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -90.85 155.53 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' TYR . 71.0 m-85 -148.39 138.45 22.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -74.49 -24.23 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -126.08 173.46 9.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.9 tttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.787 0.244 . . . . 0.0 112.289 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 mt -120.84 108.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -63.44 102.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' HIS . 13.4 m -82.98 31.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -69.67 107.64 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 68.07 54.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.428 ' SG ' ' CG2' ' A' ' 90' ' ' THR . 58.1 m -111.04 171.7 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -109.18 155.32 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.422 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 29.9 mt -143.8 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 73' ' ' ILE . 74.1 m-20 -146.59 141.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' SER . 99.5 mt -61.02 102.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' ILE . 49.4 p -34.23 131.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.37 162.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -85.17 28.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.98 -58.73 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -47.65 140.18 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -80.02 46.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.446 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 17.2 mtp85 -140.08 153.4 46.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASN . 39.2 mtmt -108.24 176.94 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER 37.42 50.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.5 t -120.53 131.92 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -123.41 141.58 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -101.0 128.45 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.456 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.3 tt -119.41 139.23 52.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -124.68 127.84 47.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.456 ' CG2' HD21 ' A' ' 88' ' ' LEU . 44.8 p -113.21 153.71 27.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 t -50.84 -21.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.51 -69.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 99.1 m -141.41 172.17 13.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -111.32 155.63 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.45 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 31.8 p -162.87 167.85 22.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mt -115.61 170.26 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.496 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 36.5 tt0 -133.2 138.27 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.32 -175.59 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.65 -49.86 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.449 ' OD1' ' CG ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -124.48 149.92 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -42.07 -55.37 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.88 -51.83 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 101' ' ' ASP . 11.9 m-20 -54.26 -47.29 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 106' ' ' LEU . 12.8 tmm? -55.16 -70.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.457 ' N ' ' SD ' ' A' ' 105' ' ' MET . 50.9 mt -42.39 -46.63 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.35 32.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.495 ' CZ3' ' HB3' ' A' ' 11' ' ' LYS . 48.3 m95 -60.45 -66.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' TRP . 77.1 mt -37.21 -49.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.9 m -39.28 -54.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.7 mt -61.61 -51.19 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.69 -34.14 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -65.61 -48.23 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m -69.11 -41.77 76.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -83.86 56.02 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.76 -43.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HE3' ' CD1' ' A' ' 108' ' ' TRP . 36.4 tttp -161.74 156.38 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.97 156.22 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.91 168.17 25.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 52' ' ' ASP . 82.6 m95 -78.63 122.03 25.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -144.28 143.69 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.561 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 87.4 m-70 -79.8 110.18 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.559 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 16.7 t80 -98.74 110.17 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -121.06 98.34 47.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.74 143.9 52.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.71 2.274 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.34 -48.7 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.547 ' CZ3' ' HB3' ' A' ' 96' ' ' LEU . 84.6 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -122.62 102.43 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.29 117.15 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.3 ptm -153.34 126.15 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 53' ' ' LYS . 15.1 t80 -44.59 107.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.5 t -94.12 129.43 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.1 t -120.7 138.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.1 tp -113.31 108.72 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -118.75 112.86 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.18 -100.94 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -126.66 12.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -119.05 161.18 20.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD12 ' CG1' ' A' ' 68' ' ' VAL . 12.0 mt -123.95 116.87 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -106.01 113.58 27.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 mp -97.33 151.66 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -141.97 135.34 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -49.88 -28.96 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 3.8 p30 -161.14 132.26 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 41.4 tttm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.729 0.22 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.0 mt -95.86 110.77 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.7 111.4 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG1' HD12 ' A' ' 47' ' ' LEU . 19.6 m -91.89 -7.13 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.1 t30 -35.57 -37.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.03 66.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.18 177.77 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -135.05 111.76 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.2 mt -96.67 142.93 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -159.68 122.81 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.4 mt -44.34 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.409 ' HG ' ' N ' ' A' ' 87' ' ' ARG . 58.8 m -41.04 159.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.557 ' CE2' ' HB ' ' A' ' 80' ' ' THR . 24.2 p90 -57.85 139.42 54.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 80' ' ' THR . 73.8 m -63.04 -44.32 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -40.52 -26.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.557 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 6.7 t -59.33 115.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -38.64 -44.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HG3' ' CZ2' ' A' ' 35' ' ' TRP . 12.3 mmp_? -52.7 173.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -132.88 151.84 51.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 45.2 53.67 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -109.49 133.17 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -115.91 129.84 56.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.483 ' CG ' ' OE2' ' A' ' 94' ' ' GLU . 27.4 ttp180 -90.1 125.74 35.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.9 136.48 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 m -121.71 120.07 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 92' ' ' ASP . 19.4 p -109.76 139.87 44.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -41.66 -25.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' THR . 18.6 t0 -81.68 -66.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 m -148.73 167.97 24.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.483 ' OE2' ' CG ' ' A' ' 87' ' ' ARG . 8.1 tm-20 -102.11 159.24 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.439 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 18.0 p -167.31 159.2 12.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.547 ' HB3' ' CZ3' ' A' ' 35' ' ' TRP . 12.3 mt -105.95 160.19 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 50.0 m-85 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.561 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 57.2 tt0 -115.78 165.95 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 98' ' ' GLN . . . -139.31 147.51 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.22 -61.15 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 102' ' ' ARG . 63.6 m-20 -120.77 141.29 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.3 ttt85 -33.95 -55.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.84 -55.57 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.5 -51.9 33.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 51.8 ttp -49.41 -69.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -38.94 -49.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.98 -53.33 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.43 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 40.7 m95 -57.88 -62.89 1.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 82.3 mt -39.59 -52.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.1 m -38.5 -58.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.1 mt -59.11 -57.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -48.19 -32.41 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.86 -36.74 75.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -75.09 -38.85 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.7 p -86.89 39.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.801 0.334 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -40.53 -49.99 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.504 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.0 tttp -150.86 158.77 44.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -159.05 155.65 27.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.6 159.38 9.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -67.58 118.69 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -138.19 142.43 40.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 93.1 m-70 -81.3 109.29 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.1 t80 -93.78 109.75 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 47.8 ttt85 -117.68 97.66 50.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.76 141.83 46.29 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -91.66 -55.38 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.3 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -112.38 114.0 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 47.6 tt0 -83.76 105.63 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.446 ' HE1' ' CB ' ' A' ' 49' ' ' LEU . 11.7 ptm -147.11 125.33 12.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.4 t80 -40.76 114.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.0 t -103.18 121.79 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.72 139.76 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.2 tp -110.0 116.11 31.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -130.29 113.73 14.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -115.08 5.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -118.27 13.81 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.3 m -126.49 151.03 48.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -107.72 122.65 47.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -109.94 111.92 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CB ' ' HE1' ' A' ' 38' ' ' MET . 5.0 mp -96.56 159.32 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' TYR . 46.0 m-85 -152.12 135.44 15.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.2 -38.22 85.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -124.12 175.04 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.8 tttt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.737 0.224 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.473 HG21 ' CG2' ' A' ' 90' ' ' THR . 8.0 mt -111.87 124.98 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 t -76.13 107.8 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ASN . 11.3 m -88.25 -8.38 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -33.79 -43.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.96 64.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.6 177.51 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 tt -134.08 126.25 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 74' ' ' ASP . 44.6 mt -108.7 145.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.432 ' N ' HG22 ' A' ' 73' ' ' ILE . 13.8 m-20 -162.44 122.91 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' SER . 79.8 mt -41.55 96.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' ILE . 8.1 t -34.87 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.485 ' CE2' ' HB ' ' A' ' 80' ' ' THR . 12.0 p90 -53.0 106.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.6 p -44.07 -23.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -43.44 27.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.485 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 9.1 t -52.67 116.84 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' THR . 9.1 ptpp? -33.87 -38.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 2.3 mpt_? -62.28 134.58 56.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -105.55 161.02 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.33 45.68 26.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.38 132.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.6 p90 -113.42 144.57 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 -98.12 136.63 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 tt -132.93 126.7 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -114.84 121.94 44.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.473 ' CG2' HG21 ' A' ' 66' ' ' ILE . 18.9 p -116.51 139.4 50.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -41.73 -31.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.24 -66.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.1 m -154.65 154.47 33.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 95' ' ' CYS . 4.4 tm-20 -92.21 143.8 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.499 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 6.8 m -152.86 -179.32 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.1 mt -129.13 156.66 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -141.25 122.52 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 57.6 tt0 -103.09 161.99 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.22 -176.29 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -96.52 -61.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.38 146.28 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -45.95 -49.36 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.05 -53.92 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -40.68 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -60.95 -49.09 78.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.27 -50.37 73.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.11 -43.17 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.504 ' CE2' ' HE3' ' A' ' 11' ' ' LYS . 36.2 m95 -65.63 -52.42 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 84.3 mt -49.67 -52.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -65.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 m -41.17 -59.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.93 -55.62 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.33 -44.38 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.24 -48.14 71.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -64.84 -38.43 90.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 97.0 p -84.4 45.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.52 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 24.8 tttp -153.72 163.73 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.87 157.39 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.86 163.68 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -70.84 124.98 25.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 108' ' ' TRP . 45.1 mt -144.94 149.38 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -84.75 104.39 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 13.5 t80 -94.09 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HD3' ' CD2' ' A' ' 35' ' ' TRP . 36.3 ttp180 -123.48 99.86 39.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.81 139.59 40.42 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.0 -45.51 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.598 ' CD1' ' NH2' ' A' ' 82' ' ' ARG . 88.1 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -114.58 117.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -89.13 106.28 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.423 ' HE2' ' CB ' ' A' ' 49' ' ' LEU . 10.7 ptm -143.8 139.51 29.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -49.54 109.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.7 t -99.34 127.39 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.55 138.21 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -111.31 105.93 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -112.29 105.13 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.17 -98.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -126.63 13.04 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -121.57 143.48 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -107.05 111.76 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 52.1 m-85 -103.11 113.07 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' CB ' ' HE2' ' A' ' 38' ' ' MET . 3.0 mp -97.81 156.21 16.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -143.87 134.86 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.53 -23.3 67.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -140.68 179.43 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 tttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.765 0.235 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.451 HG21 ' CG2' ' A' ' 90' ' ' THR . 20.2 mt -110.79 114.3 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 t -73.7 103.23 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.6 m -69.92 -10.96 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -44.07 105.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 73.7 49.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.4 p -97.42 170.32 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 tt -125.86 115.55 20.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.5 mt -104.77 147.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -163.06 124.97 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' SER . 64.4 mt -45.7 95.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ILE . 33.6 t -35.02 150.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CD2' ' HB3' ' A' ' 79' ' ' GLU . 34.4 p90 -48.74 174.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.8 p -95.26 -28.95 14.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 77' ' ' TYR . 4.9 tp10 -37.84 -46.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -54.24 137.86 40.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.413 ' C ' ' HG3' ' A' ' 82' ' ' ARG . 31.7 tttt -77.4 46.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NH2' ' CD1' ' A' ' 35' ' ' TRP . 34.1 mtt-85 -144.25 129.6 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -99.22 145.22 27.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 71.53 40.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.5 p -113.45 128.63 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 0.9 OUTLIER -111.18 144.49 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -101.91 128.67 48.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tt -122.9 136.24 54.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.1 m -125.27 115.56 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' HG21 ' A' ' 66' ' ' ILE . 28.0 p -103.55 153.6 20.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -51.57 -31.92 26.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.44 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -153.46 174.09 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -102.89 154.2 19.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.421 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 14.9 p -167.9 158.45 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.6 mt -109.15 165.95 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.537 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.4 m-85 -149.85 124.62 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.474 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 64.5 tt0 -115.05 153.6 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.21 173.73 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.94 -59.97 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -122.17 159.56 26.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -41.07 -64.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.7 -53.24 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -39.77 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -63.24 -54.06 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -52.3 65.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.35 -51.43 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.519 ' CE2' HD12 ' A' ' 15' ' ' LEU . 38.2 m95 -57.06 -61.71 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.5 mt -40.6 -53.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -53.37 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.0 m -40.78 -62.26 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.7 mt -53.99 -63.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.5 -39.56 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.52 -44.34 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -59.85 -37.84 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.5 p -79.6 -40.44 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 t30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.825 0.345 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.01 -48.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 35.1 tttp -152.99 165.85 34.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -164.1 149.56 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.24 156.96 8.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.406 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 82.9 m95 -67.85 131.26 45.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.495 HD13 ' CE2' ' A' ' 108' ' ' TRP . 31.7 mt -151.85 153.82 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.588 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 82.2 m-70 -88.75 108.43 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.571 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 7.1 t80 -94.97 115.26 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.516 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 23.6 ttp180 -126.02 97.06 35.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.571 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.79 142.75 48.66 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.0 mt -90.61 -30.37 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.516 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 51.5 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.779 0.323 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -134.42 106.81 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.47 99.59 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.8 ptm -142.86 136.88 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -46.3 118.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.425 ' CG1' HD21 ' A' ' 47' ' ' LEU . 70.7 t -111.03 119.6 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.2 t -114.06 142.03 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.1 tp -108.4 105.46 15.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -114.17 105.44 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -103.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.99 12.27 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -123.18 139.4 54.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.425 HD21 ' CG1' ' A' ' 40' ' ' VAL . 11.3 mt -100.93 112.92 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -99.85 114.61 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 5.0 mp -96.96 153.06 18.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 42.4 m-85 -146.93 119.38 8.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.23 -31.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.28 179.65 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tttm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.769 0.237 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 HG22 ' CG2' ' A' ' 90' ' ' THR . 9.0 mt -119.98 118.01 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 p -71.2 116.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 17.0 m -82.27 -19.72 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -38.91 109.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 71.9 47.11 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 68' ' ' VAL . 3.7 p -92.91 174.81 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.85 102.31 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.408 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 37.6 mt -93.63 142.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 20.1 m-20 -163.21 123.67 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.5 mt -45.64 103.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.412 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 2.5 m -39.99 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -55.9 129.23 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -58.39 -24.55 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -46.31 -37.07 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 80' ' ' THR . 6.0 t -65.31 114.12 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -43.82 -23.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.528 ' NH2' ' CG ' ' A' ' 16' ' ' HIS . 32.3 mtp85 -73.7 123.49 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -93.29 -178.68 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 38.23 48.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.2 p -123.02 127.4 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.1 p90 -117.82 139.0 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.454 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 4.4 ttp-105 -91.32 129.7 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.76 133.65 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 m -123.15 126.51 47.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.424 ' CG2' HG22 ' A' ' 66' ' ' ILE . 2.6 p -109.94 140.07 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -42.06 -31.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.71 -59.07 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.35 177.77 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -123.55 142.86 50.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -157.17 159.53 37.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 87' ' ' ARG . 88.1 mt -104.74 171.7 7.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -152.49 146.63 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.588 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 56.8 tt0 -134.1 147.4 50.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.03 170.1 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -71.61 -45.02 63.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -140.96 153.5 45.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -41.74 -61.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -39.83 -59.67 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OE1' ' A' ' 100' ' ' GLU . 3.6 m-20 -50.55 -42.44 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 55.9 ttp -59.59 -64.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -37.79 -44.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.81 62.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.495 ' CE2' HD13 ' A' ' 15' ' ' LEU . 42.2 m95 -55.64 -59.51 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.9 mt -42.35 -48.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' THR . 16.8 ttpp -62.31 -68.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 88.4 m -38.13 -60.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.5 mt -53.29 -63.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -42.82 -42.43 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.03 -45.38 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -56.09 -52.02 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -50.57 62.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.82 0.343 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -35.35 -45.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -157.45 162.84 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.79 151.26 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.34 153.94 7.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 89.1 m95 -68.16 115.53 7.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.507 HD13 ' CE2' ' A' ' 108' ' ' TRP . 35.5 mt -136.09 148.12 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.424 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 90.2 m-70 -86.0 110.63 19.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.0 t80 -94.31 119.32 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 16.8 ttp180 -132.1 99.78 16.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.1 Cg_endo -69.73 151.65 69.28 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.56 -64.01 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.413 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 68.6 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' NZ ' ' HD2' ' A' ' 19' ' ' PRO . 10.2 mttp -125.94 115.3 19.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -84.85 102.76 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.1 ptm -145.0 124.48 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' TYR . 8.9 t80 -42.59 115.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.444 ' CG2' HD23 ' A' ' 49' ' ' LEU . 88.8 t -103.02 118.31 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.98 138.37 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 tp -105.33 110.69 23.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -120.48 100.1 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -103.17 1.8 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.422 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -126.48 10.56 7.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.2 m -121.09 145.37 47.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.41 HD12 ' CG1' ' A' ' 68' ' ' VAL . 10.5 mt -106.19 110.81 23.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -98.63 110.74 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.444 HD23 ' CG2' ' A' ' 40' ' ' VAL . 4.9 mp -96.87 154.4 17.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -149.09 143.08 25.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -73.51 -39.16 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.91 107.33 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.3 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.792 0.247 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 90' ' ' THR . 16.4 mt -111.7 131.33 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.1 p -85.18 109.88 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ASN . 30.0 m -77.29 -23.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' VAL . 41.9 t30 -34.54 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.74 45.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -91.67 170.37 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.1 mt -125.99 102.66 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 39.6 mt -92.36 145.21 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 45.6 m-20 -163.29 125.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.4 mt -47.2 105.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ILE . 23.4 p -33.84 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.27 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.6 t -79.88 -34.55 39.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -40.55 -45.51 2.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.47 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -49.33 -47.52 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -60.65 163.51 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -108.83 173.19 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.43 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 47.68 51.18 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.8 t -117.16 124.45 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CD1' ' HG2' ' A' ' 105' ' ' MET . 1.2 p90 -117.16 132.42 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -88.63 123.57 33.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 tt -120.37 128.21 53.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -113.28 123.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.414 ' CG2' HG21 ' A' ' 66' ' ' ILE . 36.6 p -108.76 148.0 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -43.63 -27.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.62 -72.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -142.78 177.67 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.57 154.8 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.96 163.49 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.0 mt -107.0 171.69 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -152.62 134.56 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.424 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 12.4 tt0 -121.48 135.69 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.8 173.44 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.2 -41.36 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -139.21 152.71 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -44.9 -65.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -40.86 -40.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.11 -48.24 76.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.519 ' HG2' ' CD1' ' A' ' 86' ' ' PHE . 15.6 tmm? -54.09 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.46 HD23 ' CE ' ' A' ' 105' ' ' MET . 4.6 mm? -53.42 -44.4 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 108' ' ' TRP . . . -51.66 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.507 ' CE2' HD13 ' A' ' 15' ' ' LEU . 49.0 m95 -36.51 -57.2 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.4 mt -41.22 -58.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 22.8 ttmt -54.21 -69.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' LYS . 78.3 m -37.66 -62.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.6 mt -53.11 -57.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -47.0 -39.93 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.71 -48.09 80.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.2 m -63.18 -48.71 77.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 m -87.51 48.44 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -35.57 -45.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HE2' ' N ' ' A' ' 108' ' ' TRP . 31.7 tttp -164.87 165.05 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' CD ' ' C ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -165.18 164.3 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.38 159.7 9.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -67.82 110.11 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.523 HD11 ' CD1' ' A' ' 108' ' ' TRP . 33.3 mt -134.03 143.34 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -76.54 109.52 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.9 t80 -93.99 109.5 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -127.68 96.69 32.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.501 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.0 Cg_endo -69.76 141.35 45.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.2 mt -77.05 -47.35 20.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.0 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -121.35 106.15 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -76.3 111.89 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.446 ' HE3' ' CB ' ' A' ' 49' ' ' LEU . 13.1 ptm -150.11 125.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.2 t80 -37.78 117.03 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG2' HD23 ' A' ' 49' ' ' LEU . 62.4 t -107.56 118.39 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.6 148.35 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.73 110.43 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -122.29 105.34 10.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.28 -106.92 2.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.37 12.66 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 m -124.88 138.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 68' ' ' VAL . 10.9 mt -100.86 115.16 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -102.57 116.17 32.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.58 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 4.2 mp -98.9 159.14 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 40.3 m-85 -152.99 142.97 22.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -71.58 -38.92 70.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -117.35 162.53 17.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 21.3 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.722 0.218 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 90' ' ' THR . 11.8 mt -109.92 115.74 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -63.53 103.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 47' ' ' LEU . 5.2 m -92.89 23.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.28 -49.23 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.45 65.83 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -96.55 150.6 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.49 105.66 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.4 mt -89.41 143.04 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -161.57 117.82 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 59.8 mt -38.25 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' ILE . 53.6 p -36.29 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.46 163.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -105.73 48.73 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.7 -57.63 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -44.84 141.72 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.423 ' HE2' ' C ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.06 50.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.409 ' NH2' ' OE1' ' A' ' 98' ' ' GLN . 19.7 mtp85 -138.89 138.48 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -109.54 153.6 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.61 41.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.96 131.03 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.5 p90 -124.34 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -92.77 133.51 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tt -126.22 137.09 53.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -125.23 122.98 38.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.465 ' CG2' HG23 ' A' ' 66' ' ' ILE . 19.1 p -112.49 144.58 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.7 t -37.7 -35.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.36 -69.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.7 m -147.26 177.06 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -106.87 153.86 21.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.494 ' SG ' ' CE1' ' A' ' 17' ' ' PHE . 45.3 t -163.96 162.3 23.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.7 mt -111.97 169.81 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -151.26 136.04 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.409 ' OE1' ' NH2' ' A' ' 82' ' ' ARG . 60.8 tt0 -117.1 155.99 28.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.8 -178.31 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.42 -43.5 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -136.72 151.32 49.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -41.75 -58.41 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.81 -52.34 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -57.19 -42.8 81.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -61.47 -50.65 71.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.44 -43.32 79.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.25 -69.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.523 ' CD1' HD11 ' A' ' 15' ' ' LEU . 26.3 m95 -38.3 -56.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 73.0 mt -42.55 -56.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -56.68 -59.93 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.406 HG23 ' CB ' ' A' ' 11' ' ' LYS . 94.9 m -43.15 -59.23 2.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.9 mt -57.68 -55.04 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -50.12 -34.42 22.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -72.9 -49.34 30.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -58.39 -37.69 75.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.8 p -73.94 -49.63 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.819 0.342 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.4 -45.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 30.5 tttp -160.0 152.5 21.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -150.76 150.82 31.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.07 157.02 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.531 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.456 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 91.0 m95 -67.65 132.45 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 14' ' ' TRP . 30.8 mt -151.67 144.23 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -79.12 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.509 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.4 t80 -94.22 111.69 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 18.2 ttp180 -126.42 96.3 36.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.494 ' CD2' ' OE2' ' A' ' 94' ' ' GLU . 8.1 mp -82.67 -71.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.842 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.496 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 93.3 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -106.83 94.48 5.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -73.37 107.24 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.3 ptm -147.74 137.65 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' TYR . 10.8 t80 -48.68 112.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG2' HD21 ' A' ' 49' ' ' LEU . 75.4 t -100.79 123.97 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.34 135.75 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -106.39 114.15 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -125.98 101.55 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.58 -103.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -125.02 9.31 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 m -119.44 145.11 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -108.13 107.55 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -99.07 112.09 24.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD21 ' CG2' ' A' ' 40' ' ' VAL . 5.0 mp -93.0 166.68 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 49' ' ' LEU . 50.1 m-85 -151.33 139.26 19.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -65.07 -40.14 94.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.07 176.16 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.736 0.223 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 90' ' ' THR . 57.4 mt -117.6 98.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 t -63.48 108.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ASN . 22.2 m -81.12 -22.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -36.85 109.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 72.16 48.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -98.81 174.19 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 mp -126.42 102.06 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 74' ' ' ASP . 33.6 mt -93.08 139.75 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 73' ' ' ILE . 9.6 m-20 -158.81 117.64 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 83.4 mt -39.32 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' ASP . 8.4 t -36.57 154.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -48.7 146.39 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 79' ' ' GLU . 80.8 p -80.2 -29.4 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.7 mm-40 -34.61 -42.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -61.65 138.54 58.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -56.21 -43.04 78.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -55.03 144.23 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' ASN . 2.7 ptpt -110.42 -179.89 3.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 36.9 50.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.6 t -113.85 118.87 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.1 p90 -107.45 134.19 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -91.95 119.41 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 90' ' ' THR . 2.1 tt -114.76 132.25 56.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 m -119.87 125.73 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.471 ' CG2' HD22 ' A' ' 88' ' ' LEU . 41.5 p -109.98 145.51 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.7 p -45.96 -22.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.18 -63.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.1 m -146.16 174.98 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 95' ' ' CYS . 0.5 OUTLIER -111.44 151.65 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.501 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 8.5 p -163.68 170.58 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.9 mt -119.45 169.47 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.3 m-85 -150.74 141.31 22.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -129.43 138.83 51.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.61 172.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.63 -49.18 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' ARG . 6.0 m-20 -134.91 147.6 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 101' ' ' ASP . 34.9 ttt180 -35.12 -61.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.35 -44.99 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 16.4 tmm? -50.48 -56.85 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.4 ' CD1' ' CE ' ' A' ' 105' ' ' MET . 4.8 mp -55.56 -44.53 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.37 -44.3 23.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.492 ' CE2' ' HE3' ' A' ' 11' ' ' LYS . 34.8 m95 -67.78 -57.73 5.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.44 ' CD1' ' SD ' ' A' ' 105' ' ' MET . 78.4 mt -45.3 -48.31 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -62.74 -67.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.7 m -42.56 -55.74 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.7 mt -57.31 -53.59 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -52.09 -36.62 51.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.17 -49.28 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 m -58.3 -53.89 53.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.7 p -57.53 -46.93 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.42 -54.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.9 tttp -142.89 163.29 33.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -164.73 159.46 18.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.07 164.44 12.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.498 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 80.0 m95 -74.7 123.88 25.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 HD11 ' NE1' ' A' ' 108' ' ' TRP . 73.5 mt -145.63 146.38 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -80.01 109.34 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' A' ' 95' ' ' CYS . 15.2 t80 -94.17 110.9 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.548 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 23.5 ttt180 -125.15 99.45 34.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.74 142.75 48.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 2.244 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.94 -51.72 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.548 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 56.0 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -121.69 106.92 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -73.1 113.92 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.456 ' HE3' ' CB ' ' A' ' 49' ' ' LEU . 10.0 ptm -154.0 126.83 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 13.3 t80 -41.83 115.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.0 t -104.45 123.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.6 t -118.76 141.2 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.05 108.34 19.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 13.3 mtp-105 -122.52 105.33 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.62 -110.43 3.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -122.26 11.78 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.76 145.19 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -102.92 107.36 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -92.41 115.07 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CB ' ' HE3' ' A' ' 38' ' ' MET . 5.2 mp -97.18 163.74 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -154.29 139.44 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -22.31 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.94 134.44 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 8.0 tmtt? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.201 0 CA-C-O 120.812 0.255 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.3 mt -119.85 123.98 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -77.43 104.73 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.8 m -71.26 -19.97 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -39.06 112.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 71.92 47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.6 p -98.23 170.3 8.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 mp -130.72 102.49 6.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 74' ' ' ASP . 38.6 mt -92.59 147.66 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 73' ' ' ILE . 10.9 m-20 -162.74 126.31 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' SER . 58.9 mt -45.8 103.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 75' ' ' ILE . 24.1 m -35.24 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -45.9 163.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -101.64 55.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -134.25 -33.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.1 t -56.17 157.96 4.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 25.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.54 ' NE ' ' CE2' ' A' ' 35' ' ' TRP . 26.8 mtp85 -129.71 127.04 39.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -98.23 155.53 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.2 27.08 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.1 p -101.68 127.26 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -111.68 138.68 47.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -93.56 121.93 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.1 136.48 53.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.1 m -120.65 128.37 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.9 p -119.89 155.8 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -55.57 -18.58 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -85.69 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.4 m -152.86 169.37 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -95.45 155.27 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.598 ' SG ' ' CE1' ' A' ' 17' ' ' PHE . 48.1 t -167.65 162.27 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.7 mt -117.34 168.61 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -151.51 122.48 7.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -95.93 141.95 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.02 150.59 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.59 -65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -121.94 155.45 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.452 ' HG2' ' CD2' ' A' ' 106' ' ' LEU . 36.8 ttt85 -42.64 -64.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.3 m-20 -34.22 -61.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -45.94 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -52.86 -59.86 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.452 ' CD2' ' HG2' ' A' ' 102' ' ' ARG . 3.8 mm? -51.94 -51.18 58.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.467 ' NE1' HD11 ' A' ' 15' ' ' LEU . 38.8 m95 -46.89 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.1 mt -42.6 -51.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -56.13 -64.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.1 m -43.6 -61.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.6 mt -54.75 -63.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -40.47 -42.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -65.45 -48.58 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.7 m -58.76 -37.52 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.9 p -77.77 -12.69 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.76 0.315 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -35.87 -46.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -157.64 165.12 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -162.22 148.04 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.44 157.66 9.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.511 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 84.1 m95 -67.71 120.71 14.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD12 ' CE2' ' A' ' 108' ' ' TRP . 13.9 mt -141.86 150.37 41.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -86.52 104.46 16.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -94.21 111.48 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -122.18 97.25 45.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 136.56 33.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 HD11 ' CD ' ' A' ' 94' ' ' GLU . 88.2 mt -84.02 -50.15 8.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.827 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.535 ' CZ3' ' HB3' ' A' ' 96' ' ' LEU . 59.0 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.358 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -112.96 114.99 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.89 108.28 15.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.2 ptm -150.02 138.39 20.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' TYR . 31.8 t80 -54.73 112.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.0 t -97.2 122.39 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.54 128.96 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 tp -98.86 109.98 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -119.64 117.75 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.53 -106.38 1.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -123.97 14.0 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m -126.39 146.14 50.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.79 114.91 29.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -105.57 104.83 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 2.4 mp -90.84 168.02 12.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 39' ' ' TYR . 93.8 m-85 -157.61 133.78 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -51.45 -45.97 62.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.88 154.98 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 tttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.746 0.227 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mt -117.05 98.42 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -53.26 120.21 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ASN . 15.3 m -104.03 -10.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -34.59 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.71 62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.5 p -111.86 175.5 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.09 110.93 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.462 ' CD1' ' HB ' ' A' ' 112' ' ' ILE . 42.4 mt -87.52 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -163.23 122.38 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 76' ' ' SER . 63.2 mt -41.11 102.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 75' ' ' ILE . 1.5 p -31.4 144.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.82 126.15 11.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -45.7 -24.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -39.96 -53.86 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.2 t -57.93 151.91 17.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -84.62 -36.84 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 59.2 mtt-85 -44.57 126.69 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -92.89 150.31 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 62.45 45.2 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.424 ' CG1' ' OG ' ' A' ' 76' ' ' SER . 7.4 p -113.8 136.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.3 p90 -123.78 132.92 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.0 ttp85 -90.61 120.95 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.446 HD23 ' CG2' ' A' ' 90' ' ' THR . 1.5 tt -111.89 134.82 53.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 60.4 m -125.86 120.58 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.446 ' CG2' HD23 ' A' ' 88' ' ' LEU . 34.9 p -107.75 140.91 40.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 t -43.08 -30.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -55.77 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -154.09 176.8 11.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 95' ' ' CYS . 1.1 tm-20 -113.71 151.57 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.498 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 29.8 p -167.7 155.65 8.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.535 ' HB3' ' CZ3' ' A' ' 35' ' ' TRP . 21.0 mt -102.0 170.21 8.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -154.08 125.38 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.442 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 41.4 tt0 -114.05 140.7 48.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.31 -177.79 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -98.24 -62.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.0 139.32 38.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -42.78 -57.25 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.28 -46.5 35.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -58.78 -44.7 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -56.79 -55.03 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.62 -39.9 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -55.74 31.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.433 ' CE2' HD12 ' A' ' 15' ' ' LEU . 38.8 m95 -49.2 -51.11 34.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -48.4 -54.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -60.16 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.2 m -40.35 -63.13 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.462 ' HB ' ' CD1' ' A' ' 73' ' ' ILE . 15.7 mt -56.76 -59.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -42.49 -37.39 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.66 -50.28 45.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.7 p -54.56 -36.31 64.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.5 p -79.29 -30.7 43.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.833 0.349 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.18 81.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 35.2 tttp -150.68 165.23 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -160.53 144.79 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.72 157.91 12.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -75.57 122.93 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 108' ' ' TRP . 22.1 mt -143.54 149.33 37.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -78.69 110.87 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -94.19 116.24 28.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.508 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 36.8 ttp85 -134.32 96.15 15.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.75 141.63 45.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' HD21 ' A' ' 20' ' ' LEU . 4.4 mm? -73.63 -50.91 18.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.508 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 82.9 m95 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -107.29 102.52 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -75.94 108.56 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 ptm -147.1 136.74 22.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' TYR . 19.5 t80 -48.36 111.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -100.27 122.5 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -112.54 137.81 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.8 112.33 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.411 ' HD3' ' CD2' ' A' ' 48' ' ' TYR . 65.6 mtp180 -121.15 99.72 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.09 -97.18 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -124.83 11.71 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.8 m -121.56 144.58 48.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.6 mt -115.28 108.12 16.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.411 ' CD2' ' HD3' ' A' ' 43' ' ' ARG . 83.3 m-85 -95.51 114.72 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.7 mp -95.55 157.99 15.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' TYR . 81.5 m-85 -154.35 134.55 13.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -60.66 -41.83 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -133.58 129.3 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 64.6 tttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.747 0.228 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.1 mt -115.09 102.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 p -54.71 107.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' ASN . 23.2 m -78.93 -21.56 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 6.3 t30 -37.66 115.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 70.92 44.3 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.3 p -95.81 -178.77 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mt -142.85 110.52 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 33.6 mt -97.6 144.4 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 17.5 m-20 -163.12 118.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.9 mt -42.24 99.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' ILE . 27.0 t -35.69 149.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 27.7 p90 -36.48 142.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.7 m -87.89 51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -45.09 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -52.93 121.19 6.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -38.46 -38.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 133.63 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 2.8 mppt? -100.24 171.95 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER 46.03 50.25 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.38 121.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -115.93 130.55 56.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -90.76 124.78 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.69 133.44 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.0 m -118.62 123.84 45.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' ASP . 57.5 p -107.93 140.49 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.6 t -40.28 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' THR . 34.1 t0 -82.51 -61.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.3 m -149.93 176.62 10.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -112.55 144.69 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 27.1 m -151.59 178.94 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mt -124.9 165.81 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 65.8 m-85 -151.14 147.87 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.33 146.11 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.74 172.68 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.25 -42.92 35.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -142.37 152.56 42.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -39.23 -62.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.55 -54.2 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -59.22 -42.5 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.438 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 16.2 tmm? -54.81 -55.38 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.42 ' CD1' ' CE ' ' A' ' 105' ' ' MET . 3.3 mp -57.43 -49.47 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.26 -42.09 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.433 ' CE2' HD13 ' A' ' 15' ' ' LEU . 41.7 m95 -68.05 -58.26 4.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.438 ' CD1' ' SD ' ' A' ' 105' ' ' MET . 95.3 mt -45.1 -48.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -59.52 -67.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.6 m -41.42 -61.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.2 mt -52.99 -64.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -41.13 -41.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.88 -46.96 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m -57.93 -42.89 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.39 43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.834 0.35 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.21 -49.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -158.65 154.5 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.62 153.57 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.6 148.49 5.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -67.62 120.93 14.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 108' ' ' TRP . 14.5 mt -139.86 148.32 41.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.24 109.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -94.26 107.95 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 55.1 ttt180 -118.67 98.88 51.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 141.59 45.68 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.42 -49.57 8.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.521 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 69.6 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -131.63 93.38 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -61.71 111.83 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 49' ' ' LEU . 19.4 ptm -153.48 132.25 12.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.562 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.5 t80 -46.05 116.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' CG1' HD21 ' A' ' 47' ' ' LEU . 53.7 t -107.03 121.1 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.51 135.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 tp -103.72 116.95 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -131.54 100.73 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.25 -107.22 2.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -127.0 11.86 7.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -127.67 142.5 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.46 HD21 ' CG1' ' A' ' 40' ' ' VAL . 12.4 mt -100.73 119.8 39.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -103.18 102.85 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.425 ' HB3' ' CE ' ' A' ' 38' ' ' MET . 4.6 mp -85.73 153.85 22.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -72.17 -25.91 61.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -146.42 130.26 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 36.4 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.745 0.227 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.1 mt -112.2 124.87 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 p -75.21 99.18 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.6 m -71.97 -17.89 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -41.23 111.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 73.09 45.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -93.27 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -129.75 103.13 6.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 74' ' ' ASP . 40.8 mt -93.22 143.88 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.452 ' N ' HG21 ' A' ' 73' ' ' ILE . 56.3 m-20 -162.31 123.63 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' SER . 62.6 mt -42.22 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 75' ' ' ILE . 3.4 m -36.84 155.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.46 ' CD1' ' OG1' ' A' ' 80' ' ' THR . 9.1 p90 -50.06 179.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -91.39 -32.53 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.64 53.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.46 ' OG1' ' CD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -116.9 -4.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 tttt 50.17 26.39 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.479 ' NE ' ' NE1' ' A' ' 35' ' ' TRP . 51.5 mtt85 -138.86 138.04 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -98.3 153.09 18.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER 60.38 38.62 19.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 86' ' ' PHE . 71.2 t -107.17 137.01 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -129.15 139.52 51.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -91.41 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tt -130.82 135.55 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.6 m -127.52 120.82 29.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 p -104.27 163.17 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 m -55.79 -33.54 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.93 -61.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 71.6 m -153.5 176.98 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -111.18 160.39 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.7 p -163.24 175.79 10.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.5 mt -119.34 164.34 15.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.8 m-85 -150.53 140.79 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -128.76 138.37 52.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.44 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -85.05 -36.09 21.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -141.04 153.25 45.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -49.05 -49.26 42.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -54.86 -43.51 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.76 -43.72 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 10.1 ttp -58.62 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 106' ' ' LEU . 4.3 mm? -52.26 -41.58 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.65 88.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CE2' ' HE3' ' A' ' 11' ' ' LYS . 42.1 m95 -65.16 -54.22 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.8 mt -48.07 -52.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.58 -61.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.4 m -40.59 -57.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.27 -55.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -49.76 -32.34 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.91 -49.0 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -59.72 -46.53 88.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.7 p -64.55 -50.67 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.329 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.56 -45.03 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -161.9 159.21 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -156.43 156.89 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.49 165.42 15.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -76.49 124.01 26.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.52 HD12 ' CE2' ' A' ' 108' ' ' TRP . 11.8 mt -142.21 153.53 44.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 61.5 m-70 -88.36 108.99 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -95.26 115.38 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.531 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 26.6 ttt180 -124.43 100.24 35.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.59 0.71 . . . . 0.0 110.808 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.37 37.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -76.65 -54.7 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.552 ' NE1' ' NH2' ' A' ' 82' ' ' ARG . 49.4 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -124.45 91.91 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 27.6 tt0 -64.46 111.68 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.6 ptm -156.79 132.92 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' A' ' 53' ' ' LYS . 10.7 t80 -46.37 112.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.5 t -103.47 127.15 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.3 t -120.82 136.46 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -104.75 108.02 19.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -120.55 104.12 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.78 -105.66 1.85 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -125.99 14.08 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -124.03 138.91 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.91 106.36 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 46.2 m-85 -93.02 113.1 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -94.0 151.12 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 56.1 m-85 -148.24 138.68 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.46 -36.12 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -119.68 154.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 14.0 tptp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.43 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.745 0.227 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.7 mt -110.16 106.37 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 m -62.73 110.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' ASN . 30.6 m -81.22 -23.31 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' VAL . 12.9 t-20 -37.36 115.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 73.04 42.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.5 p -95.58 170.59 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.2 mt -130.03 106.8 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.1 mt -93.3 149.71 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -161.4 130.44 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.0 mt -52.8 102.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 75' ' ' ILE . 24.4 m -31.91 138.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -37.13 131.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -75.86 46.68 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -119.6 -43.13 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -46.52 168.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' ARG . 11.8 ptmt -78.11 -47.95 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.552 ' NH2' ' NE1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -66.0 148.08 52.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -110.7 -174.56 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . 0.452 ' C ' ' SD ' ' A' ' 105' ' ' MET . 2.9 m-80 44.18 25.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.0 p -98.06 124.78 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 1.4 p90 -111.49 155.7 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -109.38 153.23 24.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 tt -144.11 141.13 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.3 m -126.49 123.82 38.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.0 p -115.38 145.49 42.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -45.38 -22.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.83 -69.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 23.5 m -147.65 175.58 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -105.25 155.44 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.5 p -168.07 176.02 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.547 HD13 ' CH2' ' A' ' 35' ' ' TRP . 75.7 mt -123.18 168.49 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.421 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 75.4 m-85 -151.08 127.93 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.48 ' NE2' ' HB2' ' A' ' 82' ' ' ARG . 33.4 tt0 -114.37 143.1 45.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.38 169.78 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.8 pt-20 -76.84 -46.61 24.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 6.1 t0 -131.43 158.99 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -49.19 -57.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -48.96 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -33.75 62.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.565 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 58.0 ttp -71.88 -54.78 8.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -48.38 -37.6 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.65 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.52 ' CE2' HD12 ' A' ' 15' ' ' LEU . 35.1 m95 -55.77 -54.23 46.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -47.59 -60.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -53.82 -62.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -42.69 -62.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mt -54.81 -61.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -44.33 -37.97 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -68.47 -50.25 53.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.5 m -54.21 -47.2 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.7 p -62.02 -44.44 96.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.18 -44.0 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 18.9 tttp -161.9 163.34 29.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -161.96 156.24 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.7 16.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.487 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 97.4 m95 -70.97 132.22 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 108' ' ' TRP . 26.5 mt -153.33 155.95 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -91.33 106.48 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.18 110.69 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -124.74 95.69 42.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' A' ' 94' ' ' GLU . 97.0 mt -83.86 -56.66 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.465 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 72.9 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -131.32 95.42 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.956 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -70.56 113.02 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.432 ' HE2' ' CB ' ' A' ' 49' ' ' LEU . 15.9 ptm -153.8 127.02 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 6.5 t80 -36.67 115.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.1 t -106.7 121.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.86 141.69 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 tp -116.61 113.03 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -123.88 94.89 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.45 -99.86 1.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.04 14.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -123.22 133.1 54.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -108.25 109.32 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 ' CB ' ' HE2' ' A' ' 38' ' ' MET . 5.2 mp -92.67 161.6 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -150.82 138.94 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 8.2 ptpp? -66.21 -31.83 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 22.7 p-10 -145.67 124.7 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 29.5 pttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.759 0.233 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.9 mt -103.91 103.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 110.84 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m -83.94 25.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -65.28 115.05 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.15 50.87 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.45 147.51 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tp -104.78 106.41 16.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.42 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 45.6 mt -94.22 145.7 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 8.4 m-20 -163.19 129.21 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' SER . 76.7 mt -48.51 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 75' ' ' ILE . 57.3 p -41.21 163.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.55 ' CE2' HG23 ' A' ' 80' ' ' THR . 6.7 p90 -50.79 178.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.7 p -105.62 -26.62 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' SER . 9.1 mp0 -35.17 -55.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.55 HG23 ' CE2' ' A' ' 77' ' ' TYR . 1.8 t -59.03 135.05 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 81' ' ' LYS . 9.9 mptt -60.3 -53.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' LYS . 57.4 mtt85 -34.5 121.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -95.23 170.57 9.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.89 39.95 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 86' ' ' PHE . 92.3 t -107.32 138.7 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.5 OUTLIER -128.24 143.58 51.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -96.9 127.2 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.1 tt -123.36 148.41 46.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.8 m -134.87 123.18 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.462 ' CG2' HD21 ' A' ' 88' ' ' LEU . 76.6 p -108.66 139.95 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -40.75 -25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' THR . 0.8 OUTLIER -82.28 -62.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.83 177.66 9.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.427 ' CG ' HD11 ' A' ' 20' ' ' LEU . 68.5 tt0 -118.21 135.66 54.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.466 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 16.0 p -140.33 178.14 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.465 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 12.1 mt -123.37 154.47 38.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.466 ' CE2' ' SG ' ' A' ' 95' ' ' CYS . 65.7 m-85 -138.07 152.8 49.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -137.15 138.92 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.77 170.01 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.3 pt-20 -79.99 -45.22 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 10.4 t0 -128.76 166.26 19.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -57.74 -47.13 83.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -43.48 97.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.57 -42.34 74.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 45.7 ttp -67.17 -53.68 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.97 -45.07 30.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.23 76.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.518 ' CE2' HD12 ' A' ' 15' ' ' LEU . 46.2 m95 -62.5 -55.29 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 84.1 mt -47.25 -53.09 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -60.85 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.1 m -42.58 -61.87 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.89 -56.71 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -47.87 -37.89 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.86 -44.87 88.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 m -62.96 -48.3 79.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.6 p -71.57 -26.43 62.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.787 0.327 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.77 -48.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 16.0 tttp -157.21 158.11 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.34 151.2 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.39 163.68 17.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -70.78 118.25 13.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 108' ' ' TRP . 56.1 mt -137.4 148.64 46.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.404 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 93.5 m-70 -85.65 105.65 16.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.55 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.8 t80 -94.0 114.58 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -128.94 99.63 21.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.72 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.55 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.73 140.75 43.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -80.56 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.463 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 77.9 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -114.81 88.79 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 37.9 tt0 -62.6 117.71 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.8 ptm -155.81 133.97 11.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -45.58 115.91 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.5 t -106.1 121.8 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.7 t -112.3 139.52 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.5 tp -111.3 112.94 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -122.32 95.54 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 -100.39 1.0 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' VAL . 10.4 p-80 -124.74 14.1 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -123.73 134.18 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -104.2 113.73 27.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -103.74 116.42 32.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mp -101.14 158.37 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -147.29 126.75 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -42.62 -35.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 42.7 p30 -144.93 -179.33 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tttm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.771 0.238 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.461 HG22 ' CG2' ' A' ' 90' ' ' THR . 30.7 mt -109.6 127.92 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.0 p -78.15 90.58 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' HIS . 17.7 m -84.14 28.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.17 -43.05 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.12 54.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -90.56 144.06 26.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.64 105.39 15.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -88.54 149.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 76' ' ' SER . 18.8 m-20 -160.81 128.97 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.5 mt -48.12 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' ASP . 38.4 t -36.1 150.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -41.63 160.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLU . 78.9 p -93.17 -26.26 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' SER . 16.3 mm-40 -34.29 -46.85 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -63.44 112.4 2.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -40.25 -46.57 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.71 145.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -120.66 153.11 37.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 37.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.99 146.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.9 OUTLIER -143.58 140.69 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 96' ' ' LEU . 17.2 mtp180 -88.55 161.29 17.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 tt -155.96 128.33 7.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.3 m -115.66 124.26 50.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.461 ' CG2' HG22 ' A' ' 66' ' ' ILE . 30.1 p -118.88 144.96 46.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.8 p -44.18 -27.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.29 -66.92 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.5 m -152.59 177.57 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -109.7 155.96 20.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.46 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 21.9 p -167.43 170.95 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 4.8 mt -114.36 160.45 19.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.499 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 82.5 m-85 -142.51 123.82 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -100.5 169.42 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.27 167.27 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.72 -67.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.4 t70 -122.88 152.85 40.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' ASP . 47.0 ttt180 -36.21 -53.18 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -51.18 -50.1 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.44 -43.36 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.57 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 59.5 ttp -60.47 -58.41 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.31 -42.95 42.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.1 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.509 ' CE2' HD11 ' A' ' 15' ' ' LEU . 41.3 m95 -61.49 -57.46 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.4 mt -43.49 -54.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -58.37 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.8 m -43.35 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.6 mt -58.78 -64.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -41.11 -39.58 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.27 -46.51 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -64.42 -47.36 79.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.3 p -65.78 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.761 0.315 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.78 -49.15 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -150.27 162.99 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -164.23 161.65 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.78 166.64 14.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -72.62 132.77 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD11 ' NE1' ' A' ' 108' ' ' TRP . 80.1 mt -157.64 141.56 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -76.71 107.39 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -94.2 110.32 22.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 65.7 ttt-85 -128.26 101.88 21.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 53.7 Cg_endo -69.73 140.61 43.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.416 HD23 ' CA ' ' A' ' 95' ' ' CYS . 4.1 mm? -69.14 -50.35 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.801 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.486 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 55.7 m95 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.807 0.336 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -105.94 114.59 28.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -86.16 112.23 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.44 ' HE3' ' CB ' ' A' ' 49' ' ' LEU . 12.4 ptm -151.81 137.68 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -49.79 115.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.3 t -103.68 124.53 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -120.45 139.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -104.68 123.44 47.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -134.84 103.2 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.54 -109.97 2.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -119.66 6.32 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -121.57 144.4 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.06 118.85 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -104.82 116.05 31.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.44 ' CB ' ' HE3' ' A' ' 38' ' ' MET . 4.9 mp -97.01 163.27 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -143.73 125.02 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -41.48 -44.14 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -145.87 165.99 27.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.731 0.221 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.0 mt -119.61 116.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -73.46 104.91 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.3 m -83.47 15.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.0 115.06 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.46 52.65 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.9 p -90.64 173.74 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -127.19 104.03 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.4 mt -96.07 142.97 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-20 -161.9 119.8 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 75.3 mt -35.5 98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' ILE . 18.6 t -35.28 152.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -42.27 165.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.7 p -111.7 66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.11 -35.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 81' ' ' LYS . 2.9 t -71.31 124.5 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 80' ' ' THR . 30.9 mtmt -34.54 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -41.37 139.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.35 162.47 17.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 62.23 48.8 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -114.33 135.4 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -120.85 132.69 55.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -88.76 135.11 33.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 90' ' ' THR . 2.3 tt -132.38 137.09 47.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.1 m -127.66 123.91 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.471 ' CG2' HD22 ' A' ' 88' ' ' LEU . 19.0 p -107.34 146.76 31.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -41.13 -25.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' THR . 14.2 t70 -82.15 -70.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 m -143.85 177.62 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.418 ' C ' ' SG ' ' A' ' 95' ' ' CYS . 41.5 tt0 -110.27 153.83 24.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.424 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 3.5 m -155.69 -179.12 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.486 HD12 ' CH2' ' A' ' 35' ' ' TRP . 23.6 mt -128.86 162.88 26.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 81.5 m-85 -149.09 132.5 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -110.19 148.38 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 146.88 47.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -63.04 -61.18 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.0 m-20 -122.86 147.97 45.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 101' ' ' ASP . 26.3 ttm180 -36.51 -61.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ARG . 24.3 t0 -37.42 -61.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.18 -50.05 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' LEU . 41.7 ttp -56.36 -70.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' MET . 4.6 mm? -37.27 -40.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.472 ' NE1' HD11 ' A' ' 15' ' ' LEU . 53.5 m95 -55.81 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.5 mt -38.65 -54.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.94 -66.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 47.6 m -41.7 -60.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 24.1 mt -53.72 -61.01 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -45.2 -41.05 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -60.6 -44.33 96.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 m -75.07 -29.68 60.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.7 p -100.16 36.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.48 -44.92 55.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 17.5 tttp -158.79 163.53 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -162.97 136.52 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.54 159.34 22.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.458 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -68.32 128.84 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 108' ' ' TRP . 22.9 mt -153.33 147.27 25.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -83.97 111.43 19.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -94.28 115.39 27.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -128.85 102.59 19.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.58 33.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 20' ' ' LEU . 4.4 mm? -68.74 -59.36 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -131.01 95.18 3.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.27 111.14 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 ptm -156.62 128.0 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 21.0 t80 -44.91 114.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t -100.25 118.82 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.07 132.46 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 tp -108.13 113.29 26.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -124.44 96.3 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.51 -102.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -124.87 13.45 8.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -122.92 136.18 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -107.46 107.34 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -96.01 121.87 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -102.88 156.91 17.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -148.81 136.28 20.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -43.55 -51.71 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 53' ' ' LYS . 11.5 t70 -137.92 167.02 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.535 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 25.1 tttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.727 0.219 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.47 HG21 ' CG2' ' A' ' 90' ' ' THR . 53.3 mt -94.13 97.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 107.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.75 26.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.21 -36.33 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.04 45.28 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.32 174.96 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -136.31 113.88 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 74' ' ' ASP . 50.5 mt -97.56 141.63 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.527 ' N ' HG22 ' A' ' 73' ' ' ILE . 53.5 m-20 -157.65 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.8 mt -43.05 98.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' TYR . 38.4 t -43.62 145.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE2' ' HB ' ' A' ' 80' ' ' THR . 15.4 p90 -32.71 139.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -91.34 57.31 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -133.61 -35.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.566 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 8.2 t -56.69 123.44 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.0 mtpp -33.09 -41.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.485 ' HD3' ' NE2' ' A' ' 98' ' ' GLN . 4.5 mmp_? -44.97 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -137.07 146.7 45.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 49.28 55.03 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.424 HG21 ' CB ' ' A' ' 82' ' ' ARG . 90.8 t -113.81 128.99 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -113.48 137.37 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.64 129.87 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.455 HD22 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -124.26 131.48 53.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.4 m -123.11 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' ASP . 17.0 p -114.43 139.68 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.6 t -39.45 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' THR . 5.2 t0 -76.12 -70.03 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.2 m -147.43 176.48 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.481 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 3.3 mt-10 -105.53 156.09 18.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -167.73 172.77 8.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.17 166.16 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -150.46 124.8 9.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.485 ' NE2' ' HD3' ' A' ' 82' ' ' ARG . 30.7 tt0 -102.62 153.11 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.461 ' N ' ' HG2' ' A' ' 98' ' ' GLN . . . -124.81 -177.68 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -105.7 -61.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -105.52 140.84 38.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -45.44 -44.74 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.53 -45.31 92.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.409 ' HG2' ' CD1' ' A' ' 86' ' ' PHE . 15.0 tmm? -55.29 -50.31 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.02 -45.89 89.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.31 -56.82 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.513 ' CE2' HD11 ' A' ' 15' ' ' LEU . 39.3 m95 -50.39 -53.24 30.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -45.87 -51.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 111' ' ' THR . 1.8 ttmp? -58.29 -70.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 110' ' ' LYS . 29.0 m -37.41 -58.73 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.477 ' CG2' HD12 ' A' ' 73' ' ' ILE . 16.3 mt -57.14 -56.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -47.75 -39.89 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.04 -45.94 89.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 p -69.33 -37.68 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.2 p -81.73 43.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.777 0.322 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.26 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -154.3 169.01 24.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -163.57 152.51 14.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.46 157.59 8.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.491 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 80.6 m95 -68.69 127.87 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.325 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' A' ' 108' ' ' TRP . 22.2 mt -148.91 150.35 32.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 87.2 m-70 -86.42 109.67 19.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -94.22 109.0 20.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -123.95 97.56 40.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.466 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.2 Cg_endo -69.74 141.26 44.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.58 -46.4 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.846 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.52 ' CH2' HG22 ' A' ' 85' ' ' VAL . 77.9 m95 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.832 0.349 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -107.05 112.22 25.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.507 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 52.1 tt0 -86.16 107.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.7 ptm -147.51 132.68 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.44 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.4 t80 -44.62 116.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.7 t -105.24 118.39 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.03 137.93 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 tp -109.26 104.88 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -111.33 102.83 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -99.4 0.43 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -124.91 14.05 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 m -122.72 141.14 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.39 111.42 24.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.48 102.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 4.2 mp -85.58 170.54 12.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 91.6 m-85 -160.87 129.56 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.82 -41.18 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.34 157.23 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 tttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.751 0.23 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.1 mt -116.75 107.89 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 98.2 p -69.92 124.1 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 m -109.17 26.91 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.09 -37.52 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.29 51.41 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 p -94.29 177.33 5.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 mt -137.21 108.75 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 74' ' ' ASP . 36.4 mt -89.55 143.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.47 ' N ' HG21 ' A' ' 73' ' ' ILE . 13.5 m-20 -154.45 125.04 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.7 mt -47.72 106.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 75' ' ' ILE . 4.6 p -29.77 143.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.47 158.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 m -86.39 54.43 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.76 -53.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 t -43.36 142.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.94 -27.72 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HD3' ' NE1' ' A' ' 35' ' ' TRP . 5.1 mpt_? -67.2 136.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -99.08 174.54 6.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.35 39.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.52 HG22 ' CH2' ' A' ' 35' ' ' TRP . 8.4 p -110.36 129.64 65.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -119.57 139.22 52.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -88.9 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 tt -128.02 130.65 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -116.96 118.68 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' SER . 31.9 p -107.67 141.78 38.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' THR . 3.8 t -38.53 -31.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' THR . 38.7 t70 -77.74 -66.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 77.2 m -145.62 177.57 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -115.73 148.19 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 17.0 p -160.47 163.59 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mt -106.27 166.71 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.404 ' CE2' ' SG ' ' A' ' 95' ' ' CYS . 55.4 m-85 -147.34 129.04 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -107.83 140.66 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.17 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -79.12 -38.4 36.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 102' ' ' ARG . 4.5 t70 -155.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' ASP . 37.4 ttp180 -34.28 -64.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.73 -49.32 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.66 -41.74 95.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.452 ' HE3' ' CD1' ' A' ' 106' ' ' LEU . 52.0 ttp -55.71 -62.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.452 ' CD1' ' HE3' ' A' ' 105' ' ' MET . 6.7 mp -47.52 -54.6 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.59 -36.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.503 ' CE2' HD11 ' A' ' 15' ' ' LEU . 37.3 m95 -76.24 -51.81 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.5 mt -49.52 -46.31 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 21.5 ttmm -68.22 -65.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' LYS . 62.4 m -37.11 -56.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.9 mt -61.61 -55.46 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -47.46 -37.27 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.05 -42.79 95.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -71.59 -39.88 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.4 p -81.95 43.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.92 -45.78 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.515 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.1 tttp -157.05 165.89 34.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.94 161.39 25.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.31 160.43 9.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -68.76 126.71 30.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.415 HD11 ' CE2' ' A' ' 108' ' ' TRP . 55.4 mt -149.09 152.43 36.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 99.4 m-70 -87.46 107.76 18.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 14.1 t80 -95.95 109.02 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -123.44 96.78 43.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.37 -37.49 32.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.2 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.43 90.84 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 57.6 tt0 -64.36 109.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.445 ' HE3' ' CB ' ' A' ' 49' ' ' LEU . 20.4 ptm -152.05 131.39 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.527 ' CE2' ' HD3' ' A' ' 53' ' ' LYS . 4.3 t80 -43.28 120.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.8 t -110.11 120.08 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.81 145.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.2 tp -118.58 105.43 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 12.2 mtp-105 -116.66 119.21 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.02 -104.17 0.83 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -126.98 13.56 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 m -123.13 156.83 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.09 116.65 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.67 105.12 15.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 4.4 mp -88.05 169.43 11.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 56.8 m-85 -156.75 141.03 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 12.6 ptmt -61.64 -45.28 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.0 t0 -136.96 -178.41 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 18.7 tptp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.772 0.238 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.1 mt -114.28 123.55 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -76.5 104.89 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -69.86 -22.36 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -38.55 111.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 72.69 40.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.96 139.4 31.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.67 103.98 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 74' ' ' ASP . 42.1 mt -92.27 143.62 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.471 ' N ' HG23 ' A' ' 73' ' ' ILE . 10.0 m-20 -162.77 126.75 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 76' ' ' SER . 85.9 mt -46.04 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 75' ' ' ILE . 1.5 t -35.37 153.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -48.25 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.424 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 11.8 t -112.33 51.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -123.24 -62.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.581 ' CG2' ' NE ' ' A' ' 82' ' ' ARG . 1.8 t -47.51 137.02 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -71.75 90.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.581 ' NE ' ' CG2' ' A' ' 80' ' ' THR . 0.0 OUTLIER -159.35 178.48 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -144.11 133.87 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 63.41 52.75 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.497 ' CG2' ' HD3' ' A' ' 82' ' ' ARG . 93.3 t -113.37 133.12 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.2 p90 -123.03 133.73 54.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -88.8 120.14 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -113.18 130.33 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 117.65 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.46 ' CG2' HD23 ' A' ' 88' ' ' LEU . 11.1 p -108.69 139.2 43.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 72.4 m -37.4 -33.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' THR . 44.4 t0 -73.57 -69.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.85 178.9 6.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -125.02 130.81 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.47 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 16.2 p -145.68 173.0 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 mt -115.63 170.14 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.409 ' CE2' ' SG ' ' A' ' 95' ' ' CYS . 75.6 m-85 -148.7 140.59 23.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -111.85 165.69 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.17 149.93 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.38 -58.45 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.07 146.21 43.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -44.67 -60.05 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -39.54 -50.81 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.03 -46.9 82.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 14.8 tmm? -56.41 -55.82 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 106' ' ' LEU . 4.2 mm? -51.84 -42.33 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.72 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.515 ' CE2' ' HE3' ' A' ' 11' ' ' LYS . 51.7 m95 -60.08 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 105' ' ' MET . 61.0 mt -41.24 -52.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.3 m -42.48 -60.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.5 mt -56.38 -57.03 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -47.0 -39.71 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.07 -49.44 77.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -58.99 -39.85 83.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 p -72.12 -25.38 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -128.68 164.4 23.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t 54.94 44.7 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.88 -78.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t -50.85 122.96 8.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 p -58.54 156.1 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.78 171.98 48.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -122.87 26.29 8.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.51 122.53 33.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.68 -47.85 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -149.29 158.98 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.45 148.81 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.24 155.03 8.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.407 ' C ' ' HG ' ' A' ' 15' ' ' LEU . 77.8 m95 -68.73 131.26 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD12 ' CE2' ' A' ' 108' ' ' TRP . 11.1 mt -152.57 158.2 42.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 83.5 m-70 -91.3 111.3 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -97.1 110.81 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.509 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 62.7 ttt-85 -118.93 95.66 49.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.537 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.81 143.1 49.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.63 -39.91 26.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -170.51 149.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -117.37 -34.88 4.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -96.93 163.5 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -128.65 -33.17 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.79 35.12 4.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.549 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -139.55 130.67 26.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -95.77 96.36 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.17 148.24 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.32 73.75 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.46 155.01 9.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 t -51.03 156.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.05 -37.35 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 62.5 mtm180 -155.52 143.65 14.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.49 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.548 ' CH2' HD11 ' A' ' 96' ' ' LEU . 93.5 m95 -49.8 120.02 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -104.73 132.81 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.474 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 40.9 tt0 -98.95 109.8 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 15.0 ptm -149.05 132.72 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' TYR . 23.0 t80 -47.86 115.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.1 t -104.11 124.91 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -121.33 137.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.1 tp -106.54 106.83 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -116.48 105.81 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.34 -104.53 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -126.86 13.87 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.6 m -124.41 144.62 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.1 110.95 23.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -99.82 113.15 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mp -94.09 158.41 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 51.5 m-85 -151.73 133.47 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -144.74 163.32 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -101.25 32.76 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -68.03 -48.9 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -149.09 132.57 16.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -102.39 -43.5 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLN . 76.4 p -34.51 -43.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.5 p -79.17 152.28 76.35 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.589 0.709 . . . . 0.0 111.175 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -179.92 3.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 13.9 p -51.61 171.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -104.99 -55.82 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -122.64 -33.95 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 60' ' ' SER . 6.7 mm-40 -83.26 120.87 26.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -69.53 151.58 96.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 146.47 60.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 mt -115.63 134.89 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -83.13 134.2 35.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.05 -1.83 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -42.34 -38.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.52 60.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.83 176.21 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mp -137.64 105.44 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 74' ' ' ASP . 42.6 mt -92.08 144.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.443 ' N ' HG23 ' A' ' 73' ' ' ILE . 15.9 m-20 -161.2 117.38 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' SER . 70.5 mt -37.5 95.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' ILE . 47.8 t -34.84 149.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -45.74 153.66 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -94.97 44.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -113.75 -31.49 6.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' ARG . 9.0 t -70.78 126.68 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -42.7 -24.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 35' ' ' TRP . 38.5 mtt85 -72.66 122.33 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -100.67 151.42 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 51.0 m-20 66.18 39.93 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.5 p -110.7 130.63 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.2 p90 -109.88 140.4 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttp85 -98.35 125.7 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.8 tt -118.38 131.74 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.1 m -124.32 111.08 15.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.4 p -92.94 149.36 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.7 p -53.27 -23.12 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.4 -54.35 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 177.64 8.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -125.08 150.84 46.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -163.18 178.82 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.548 HD11 ' CH2' ' A' ' 35' ' ' TRP . 9.4 mt -124.69 168.35 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.519 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.9 m-85 -153.04 121.97 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 59.7 tt0 -102.52 159.48 15.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.52 175.44 9.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -93.49 -64.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.9 138.74 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -42.28 -54.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.66 -42.17 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.49 -46.41 76.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 21.4 ttp -54.86 -57.24 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.0 mt -46.89 -45.95 20.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.42 -54.07 15.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.508 ' CE2' HD12 ' A' ' 15' ' ' LEU . 42.6 m95 -55.88 -62.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 82.0 mt -39.38 -48.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' THR . 19.4 ttpt -63.78 -66.07 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' LYS . 88.6 m -37.19 -57.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 115' ' ' SER . 14.8 mt -60.18 -63.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.76 -30.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.15 -39.18 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' ILE . 3.6 m -68.2 -51.54 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.9 p -58.36 -51.73 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -51.05 163.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.96 124.96 21.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.86 42.53 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.7 t -88.59 43.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -71.67 166.85 52.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 92.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.305 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.4 p -106.38 42.15 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.0 p -116.24 146.93 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 67.4 p -36.67 -32.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' GLY . 3.6 m -127.77 113.71 16.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.37 53.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -112.27 -48.54 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.837 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -73.13 102.83 3.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.69 55.31 0.7 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.92 134.1 34.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.09 121.25 10.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -49.73 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' HB3' ' CZ3' ' A' ' 108' ' ' TRP . 25.4 tttp -150.18 165.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -165.03 161.67 19.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 159.97 9.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -70.02 111.07 5.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.453 HD13 ' CZ2' ' A' ' 108' ' ' TRP . 38.5 mt -131.3 141.35 49.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.496 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 58.6 m-70 -79.93 107.83 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.17 110.09 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -125.01 97.91 37.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.78 141.6 45.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.59 -45.34 53.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -169.81 151.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.4 p -130.37 179.39 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -50.42 133.3 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -84.57 98.26 10.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.79 -0.45 2.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.1 64.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? 39.54 42.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.76 50.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.74 -159.6 15.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.16 -106.86 2.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.6 m -138.84 137.57 36.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.6 mt -78.76 125.5 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -89.75 153.7 47.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.6 Cg_endo -69.81 -176.4 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' PRO . 70.9 m95 -35.79 138.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -114.6 96.01 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -69.29 113.07 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.7 ptm -150.18 142.78 24.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' TYR . 11.5 t80 -54.49 110.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.7 t -99.5 127.48 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.34 131.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.07 105.17 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -113.67 97.88 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.72 -99.29 1.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.4 p-80 -126.34 14.07 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 m -122.29 143.38 49.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -108.93 106.89 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -97.32 106.47 18.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -90.85 155.53 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' TYR . 71.0 m-85 -148.39 138.45 22.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -74.49 -24.23 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -126.08 173.46 9.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -113.56 -22.35 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -53.11 -53.87 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.84 83.46 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -85.32 -26.27 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 68.4 m -65.52 -61.0 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.3 p -44.94 147.5 1.13 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.28 16.97 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.3 p -44.01 128.07 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -73.22 -69.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -99.58 -57.86 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -62.22 167.61 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -121.37 150.51 54.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 143.11 49.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.289 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 mt -120.84 108.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -63.44 102.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' HIS . 13.4 m -82.98 31.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -69.67 107.64 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 68.07 54.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.428 ' SG ' ' CG2' ' A' ' 90' ' ' THR . 58.1 m -111.04 171.7 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -109.18 155.32 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.422 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 29.9 mt -143.8 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 73' ' ' ILE . 74.1 m-20 -146.59 141.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' SER . 99.5 mt -61.02 102.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' ILE . 49.4 p -34.23 131.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.37 162.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -85.17 28.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.98 -58.73 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -47.65 140.18 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -80.02 46.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.446 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 17.2 mtp85 -140.08 153.4 46.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 84' ' ' ASN . 39.2 mtmt -108.24 176.94 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER 37.42 50.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 78.5 t -120.53 131.92 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -123.41 141.58 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -101.0 128.45 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.456 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.3 tt -119.41 139.23 52.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -124.68 127.84 47.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.456 ' CG2' HD21 ' A' ' 88' ' ' LEU . 44.8 p -113.21 153.71 27.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 t -50.84 -21.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.51 -69.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 99.1 m -141.41 172.17 13.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -111.32 155.63 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.45 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 31.8 p -162.87 167.85 22.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mt -115.61 170.26 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.496 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 36.5 tt0 -133.2 138.27 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.32 -175.59 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.65 -49.86 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.449 ' OD1' ' CG ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -124.48 149.92 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -42.07 -55.37 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.88 -51.83 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 101' ' ' ASP . 11.9 m-20 -54.26 -47.29 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 106' ' ' LEU . 12.8 tmm? -55.16 -70.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.457 ' N ' ' SD ' ' A' ' 105' ' ' MET . 50.9 mt -42.39 -46.63 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.35 32.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.495 ' CZ3' ' HB3' ' A' ' 11' ' ' LYS . 48.3 m95 -60.45 -66.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' TRP . 77.1 mt -37.21 -49.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.9 m -39.28 -54.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.7 mt -61.61 -51.19 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.69 -34.14 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -65.61 -48.23 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m -69.11 -41.77 76.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -83.86 56.02 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -159.05 119.12 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.6 mt -75.54 130.12 38.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -97.51 87.97 4.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.3 t -55.79 -44.08 77.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.59 142.34 15.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -19.14 36.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.29 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.8 p -50.14 147.33 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 t -159.6 128.73 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -76.68 173.71 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -154.92 150.26 27.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.96 47.5 46.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -52.7 -59.39 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -64.95 132.72 50.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.32 161.9 12.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.62 26.64 8.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.844 0.355 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.07 111.15 16.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.76 -43.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.43 ' HE3' ' CD1' ' A' ' 108' ' ' TRP . 36.4 tttp -161.74 156.38 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.97 156.22 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.91 168.17 25.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 52' ' ' ASP . 82.6 m95 -78.63 122.03 25.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -144.28 143.69 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.561 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 87.4 m-70 -79.8 110.18 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.559 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 16.7 t80 -98.74 110.17 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -121.06 98.34 47.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.559 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.74 143.9 52.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.71 2.274 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.34 -48.7 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.06 136.64 51.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -134.8 173.47 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 25' ' ' GLY . 4.9 m-20 -68.16 95.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -38.45 94.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . 81.61 -145.64 25.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tptm 66.52 40.79 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 59.18 44.52 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.5 p -174.48 145.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.76 154.47 15.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.29 -133.04 1.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m -94.12 -175.72 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 mm -53.13 134.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -139.81 144.25 38.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.605 0.716 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.85 29.61 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.547 ' CZ3' ' HB3' ' A' ' 96' ' ' LEU . 84.6 m95 -43.27 148.67 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -122.62 102.43 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.29 117.15 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.3 ptm -153.34 126.15 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 53' ' ' LYS . 15.1 t80 -44.59 107.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.5 t -94.12 129.43 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.1 t -120.7 138.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.1 tp -113.31 108.72 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -118.75 112.86 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.18 -100.94 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -126.66 12.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -119.05 161.18 20.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD12 ' CG1' ' A' ' 68' ' ' VAL . 12.0 mt -123.95 116.87 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -106.01 113.58 27.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.6 mp -97.33 151.66 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -141.97 135.34 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -49.88 -28.96 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 3.8 p30 -161.14 132.26 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 41.4 tttm -39.71 -55.33 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' GLU . 24.7 ptt180 -66.31 171.53 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' ARG . 12.7 pt-20 36.05 55.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 8.5 mm100 -46.31 -20.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -74.98 53.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 p -86.06 156.65 57.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.56 0.695 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.96 35.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 62' ' ' GLU . 10.4 p -80.09 -21.94 42.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 46.6 mt-10 -34.83 -32.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 60' ' ' SER . 22.2 mt-10 -43.4 -50.28 6.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.5 mp0 -33.26 97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' GLU . 12.0 pt20 -48.85 148.23 3.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.78 55.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.0 mt -95.86 110.77 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.7 111.4 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.455 ' CG1' HD12 ' A' ' 47' ' ' LEU . 19.6 m -91.89 -7.13 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.1 t30 -35.57 -37.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.03 66.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.18 177.77 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -135.05 111.76 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 34.2 mt -96.67 142.93 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -159.68 122.81 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.4 mt -44.34 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.409 ' HG ' ' N ' ' A' ' 87' ' ' ARG . 58.8 m -41.04 159.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.557 ' CE2' ' HB ' ' A' ' 80' ' ' THR . 24.2 p90 -57.85 139.42 54.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 80' ' ' THR . 73.8 m -63.04 -44.32 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -40.52 -26.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.557 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 6.7 t -59.33 115.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -38.64 -44.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.508 ' HG3' ' CZ2' ' A' ' 35' ' ' TRP . 12.3 mmp_? -52.7 173.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -132.88 151.84 51.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 45.2 53.67 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -109.49 133.17 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -115.91 129.84 56.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.483 ' CG ' ' OE2' ' A' ' 94' ' ' GLU . 27.4 ttp180 -90.1 125.74 35.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -117.9 136.48 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 m -121.71 120.07 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 92' ' ' ASP . 19.4 p -109.76 139.87 44.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -41.66 -25.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' THR . 18.6 t0 -81.68 -66.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 m -148.73 167.97 24.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.483 ' OE2' ' CG ' ' A' ' 87' ' ' ARG . 8.1 tm-20 -102.11 159.24 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.439 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 18.0 p -167.31 159.2 12.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.547 ' HB3' ' CZ3' ' A' ' 35' ' ' TRP . 12.3 mt -105.95 160.19 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 50.0 m-85 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.561 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 57.2 tt0 -115.78 165.95 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 98' ' ' GLN . . . -139.31 147.51 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.22 -61.15 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 102' ' ' ARG . 63.6 m-20 -120.77 141.29 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.3 ttt85 -33.95 -55.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.84 -55.57 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.5 -51.9 33.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 51.8 ttp -49.41 -69.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -38.94 -49.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.98 -53.33 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.43 ' CD1' ' HE3' ' A' ' 11' ' ' LYS . 40.7 m95 -57.88 -62.89 1.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 82.3 mt -39.59 -52.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.1 m -38.5 -58.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.1 mt -59.11 -57.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -48.19 -32.41 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.86 -36.74 75.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -75.09 -38.85 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.7 p -86.89 39.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.0 125.38 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.1 mt -38.27 131.29 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -60.37 169.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.6 p -71.77 106.14 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.04 78.16 0.33 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 100.79 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.29 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -77.06 -56.66 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 125' ' ' GLY . 84.7 p -103.47 42.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 124' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -92.95 95.77 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -77.76 -56.32 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.59 67.65 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -119.69 138.66 53.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -111.74 41.04 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.45 171.98 39.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -90.37 25.06 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.17 120.56 27.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -40.53 -49.99 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.504 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.0 tttp -150.86 158.77 44.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -159.05 155.65 27.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.6 159.38 9.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -67.58 118.69 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.3 mt -138.19 142.43 40.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 93.1 m-70 -81.3 109.29 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.566 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.1 t80 -93.78 109.75 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 47.8 ttt85 -117.68 97.66 50.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.566 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.76 141.83 46.29 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.4 mt -91.66 -55.38 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.91 144.31 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.0 p -134.94 -58.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -86.1 169.12 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -117.42 78.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.19 60.17 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.2 147.41 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.74 0.305 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -97.91 44.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.5 -37.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.69 163.47 32.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.37 157.56 2.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.459 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.2 m -106.0 94.72 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 10.0 mt 39.52 42.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -61.92 149.66 85.1 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.601 0.715 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 172.36 12.78 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 63.3 m95 -49.71 144.55 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -112.38 114.0 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.428 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 47.6 tt0 -83.76 105.63 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.446 ' HE1' ' CB ' ' A' ' 49' ' ' LEU . 11.7 ptm -147.11 125.33 12.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.4 t80 -40.76 114.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.0 t -103.18 121.79 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.72 139.76 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.2 tp -110.0 116.11 31.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -130.29 113.73 14.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -115.08 5.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.5 m80 -118.27 13.81 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.3 m -126.49 151.03 48.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -107.72 122.65 47.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -109.94 111.92 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CB ' ' HE1' ' A' ' 38' ' ' MET . 5.0 mp -96.56 159.32 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.591 ' CD2' ' OE1' ' A' ' 56' ' ' GLN . 46.0 m-85 -152.12 135.44 15.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.2 -38.22 85.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -124.12 175.04 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -85.24 -55.29 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -52.34 158.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 61.87 50.44 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.591 ' OE1' ' CD2' ' A' ' 50' ' ' TYR . 1.5 tp-100 -90.96 17.46 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.9 p -77.74 -51.25 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -86.65 155.69 56.23 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.57 0.7 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.1 Cg_endo -69.73 177.57 5.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.379 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 59' ' ' PRO . 8.6 t -35.61 127.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -67.73 -63.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -94.14 -61.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.87 170.14 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -118.66 153.33 52.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.01 49.57 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.473 HG21 ' CG2' ' A' ' 90' ' ' THR . 8.0 mt -111.87 124.98 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 t -76.13 107.8 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.448 ' O ' ' C ' ' A' ' 69' ' ' ASN . 11.3 m -88.25 -8.38 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -33.79 -43.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.96 64.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.6 177.51 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 tt -134.08 126.25 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 74' ' ' ASP . 44.6 mt -108.7 145.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.432 ' N ' HG22 ' A' ' 73' ' ' ILE . 13.8 m-20 -162.44 122.91 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' SER . 79.8 mt -41.55 96.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 75' ' ' ILE . 8.1 t -34.87 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.485 ' CE2' ' HB ' ' A' ' 80' ' ' THR . 12.0 p90 -53.0 106.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.6 p -44.07 -23.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -43.44 27.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.485 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 9.1 t -52.67 116.84 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' THR . 9.1 ptpp? -33.87 -38.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 2.3 mpt_? -62.28 134.58 56.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -105.55 161.02 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.33 45.68 26.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.5 p -117.38 132.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.6 p90 -113.42 144.57 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.7 ttp180 -98.12 136.63 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.6 tt -132.93 126.7 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.6 m -114.84 121.94 44.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.473 ' CG2' HG21 ' A' ' 66' ' ' ILE . 18.9 p -116.51 139.4 50.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -41.73 -31.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.24 -66.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.1 m -154.65 154.47 33.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.499 ' OE1' ' N ' ' A' ' 95' ' ' CYS . 4.4 tm-20 -92.21 143.8 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.499 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 6.8 m -152.86 -179.32 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 19.1 mt -129.13 156.66 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -141.25 122.52 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 57.6 tt0 -103.09 161.99 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.22 -176.29 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -96.52 -61.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.38 146.28 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -45.95 -49.36 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.05 -53.92 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -40.68 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -60.95 -49.09 78.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.27 -50.37 73.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.11 -43.17 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.504 ' CE2' ' HE3' ' A' ' 11' ' ' LYS . 36.2 m95 -65.63 -52.42 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 84.3 mt -49.67 -52.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -65.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.3 m -41.17 -59.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.93 -55.62 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.33 -44.38 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.24 -48.14 71.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -64.84 -38.43 90.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 97.0 p -84.4 45.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -154.26 111.07 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.4 mt -42.8 136.35 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -120.42 -45.43 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -125.88 87.46 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -146.18 -72.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -27.64 26.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m 49.91 44.3 25.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.6 t -97.68 123.35 41.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m 38.31 42.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -84.07 42.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.15 164.17 12.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 m 46.11 41.83 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -107.87 115.86 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.41 -88.75 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.49 144.35 27.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.96 123.23 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.52 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 24.8 tttp -153.72 163.73 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.87 157.39 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.86 163.68 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 94.2 m95 -70.84 124.98 25.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.519 HD12 ' CE2' ' A' ' 108' ' ' TRP . 45.1 mt -144.94 149.38 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -84.75 104.39 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 13.5 t80 -94.09 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HD3' ' CD2' ' A' ' 35' ' ' TRP . 36.3 ttp180 -123.48 99.86 39.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.81 139.59 40.42 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.0 -45.51 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -160.92 153.7 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -126.34 -29.32 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -156.09 147.36 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -75.32 88.98 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.62 54.55 20.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.96 102.34 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 50.0 44.59 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -107.71 149.65 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 -115.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.58 -71.75 0.24 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.2 p -81.69 166.71 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 mt -109.38 138.34 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -55.89 132.95 73.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.84 2.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.598 ' CD1' ' NH2' ' A' ' 82' ' ' ARG . 88.1 m95 -41.91 132.27 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -114.58 117.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -89.13 106.28 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.423 ' HE2' ' CB ' ' A' ' 49' ' ' LEU . 10.7 ptm -143.8 139.51 29.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -49.54 109.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.7 t -99.34 127.39 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.55 138.21 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -111.31 105.93 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -112.29 105.13 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.17 -98.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -126.63 13.04 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -121.57 143.48 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -107.05 111.76 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 52.1 m-85 -103.11 113.07 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' CB ' ' HE2' ' A' ' 38' ' ' MET . 3.0 mp -97.81 156.21 16.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -143.87 134.86 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.53 -23.3 67.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -140.68 179.43 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -96.49 31.47 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -70.86 163.99 26.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -37.88 117.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -85.66 27.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 p -72.7 -7.99 53.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.35 156.09 75.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 111.196 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 60' ' ' SER . 53.2 Cg_endo -69.81 176.24 7.08 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.667 2.244 . . . . 0.0 112.335 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' PRO . 15.6 p -36.96 130.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.52 -67.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -108.29 -52.29 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -59.61 167.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -108.51 152.31 42.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.6 Cg_endo -69.76 144.97 55.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.309 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.451 HG21 ' CG2' ' A' ' 90' ' ' THR . 20.2 mt -110.79 114.3 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 t -73.7 103.23 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.6 m -69.92 -10.96 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -44.07 105.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 73.7 49.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.4 p -97.42 170.32 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.8 tt -125.86 115.55 20.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.5 mt -104.77 147.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -163.06 124.97 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' SER . 64.4 mt -45.7 95.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' ILE . 33.6 t -35.02 150.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.464 ' CD2' ' HB3' ' A' ' 79' ' ' GLU . 34.4 p90 -48.74 174.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.8 p -95.26 -28.95 14.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 77' ' ' TYR . 4.9 tp10 -37.84 -46.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -54.24 137.86 40.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.413 ' C ' ' HG3' ' A' ' 82' ' ' ARG . 31.7 tttt -77.4 46.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NH2' ' CD1' ' A' ' 35' ' ' TRP . 34.1 mtt-85 -144.25 129.6 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -99.22 145.22 27.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 71.53 40.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.5 p -113.45 128.63 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 0.9 OUTLIER -111.18 144.49 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -101.91 128.67 48.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.9 tt -122.9 136.24 54.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.1 m -125.27 115.56 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' HG21 ' A' ' 66' ' ' ILE . 28.0 p -103.55 153.6 20.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -51.57 -31.92 26.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.44 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -153.46 174.09 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -102.89 154.2 19.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.421 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 14.9 p -167.9 158.45 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.6 mt -109.15 165.95 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.537 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.4 m-85 -149.85 124.62 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.474 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 64.5 tt0 -115.05 153.6 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.21 173.73 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.94 -59.97 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -122.17 159.56 26.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -41.07 -64.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.7 -53.24 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -39.77 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -63.24 -54.06 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -52.3 65.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.35 -51.43 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.519 ' CE2' HD12 ' A' ' 15' ' ' LEU . 38.2 m95 -57.06 -61.71 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.5 mt -40.6 -53.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -53.37 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.0 m -40.78 -62.26 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.7 mt -53.99 -63.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.5 -39.56 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.52 -44.34 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -59.85 -37.84 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.5 p -79.6 -40.44 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -40.69 141.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.457 ' N ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -86.12 46.16 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 120' ' ' SER . 28.6 m-20 -44.25 135.34 4.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ASN . 1.7 t -37.47 133.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -70.19 146.46 42.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.29 25.26 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.297 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 m -84.32 177.07 8.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.2 m -79.89 168.17 19.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -85.49 87.44 7.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -172.75 152.17 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.37 81.51 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -116.24 143.58 45.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -148.47 127.44 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.19 51.13 3.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -158.24 148.32 20.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.14 112.73 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.01 -48.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 35.1 tttp -152.99 165.85 34.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -164.1 149.56 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.24 156.96 8.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.406 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 82.9 m95 -67.85 131.26 45.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.495 HD13 ' CE2' ' A' ' 108' ' ' TRP . 31.7 mt -151.85 153.82 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.588 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 82.2 m-70 -88.75 108.43 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.571 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 7.1 t80 -94.97 115.26 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.516 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 23.6 ttp180 -126.02 97.06 35.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.571 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.79 142.75 48.66 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.0 mt -90.61 -30.37 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 p -174.55 140.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.6 p -122.34 -28.53 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -136.2 163.39 30.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -48.35 2.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.11 51.8 0.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.437 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -145.4 116.09 7.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -81.21 47.02 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.2 p -77.84 -41.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.85 -87.07 1.93 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.6 -60.65 2.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.6 m -72.45 155.96 39.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.813 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -107.0 130.84 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -124.16 150.47 63.53 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.697 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.673 2.249 . . . . 0.0 112.292 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.516 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 51.5 m95 -57.95 168.71 0.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -134.42 106.81 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.47 99.59 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.8 ptm -142.86 136.88 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -46.3 118.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.425 ' CG1' HD21 ' A' ' 47' ' ' LEU . 70.7 t -111.03 119.6 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.2 t -114.06 142.03 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.1 tp -108.4 105.46 15.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -114.17 105.44 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -103.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.99 12.27 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -123.18 139.4 54.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 HD21 ' CG1' ' A' ' 40' ' ' VAL . 11.3 mt -100.93 112.92 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -99.85 114.61 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 5.0 mp -96.96 153.06 18.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 42.4 m-85 -146.93 119.38 8.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.23 -31.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.28 179.65 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -99.38 35.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -57.07 -67.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -142.08 153.83 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -123.0 25.63 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -105.49 -15.4 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 p -115.26 152.19 46.58 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.1 Cg_endo -69.77 159.54 53.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.644 2.229 . . . . 0.0 112.359 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' PRO . 71.7 m -37.1 121.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -65.28 -53.38 44.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -99.62 -57.78 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -67.19 170.89 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -116.16 152.82 48.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 145.96 58.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 HG22 ' CG2' ' A' ' 90' ' ' THR . 9.0 mt -119.98 118.01 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 p -71.2 116.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 17.0 m -82.27 -19.72 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -38.91 109.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 71.9 47.11 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 68' ' ' VAL . 3.7 p -92.91 174.81 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.85 102.31 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.408 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 37.6 mt -93.63 142.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 20.1 m-20 -163.21 123.67 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.5 mt -45.64 103.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.412 ' HA ' ' NH1' ' A' ' 87' ' ' ARG . 2.5 m -39.99 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -55.9 129.23 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -58.39 -24.55 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -46.31 -37.07 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.499 ' O ' ' CG2' ' A' ' 80' ' ' THR . 6.0 t -65.31 114.12 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -43.82 -23.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.528 ' NH2' ' CG ' ' A' ' 16' ' ' HIS . 32.3 mtp85 -73.7 123.49 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -93.29 -178.68 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 38.23 48.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.2 p -123.02 127.4 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.1 p90 -117.82 139.0 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.454 ' HB2' ' CD2' ' A' ' 96' ' ' LEU . 4.4 ttp-105 -91.32 129.7 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.76 133.65 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 m -123.15 126.51 47.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.424 ' CG2' HG22 ' A' ' 66' ' ' ILE . 2.6 p -109.94 140.07 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -42.06 -31.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.71 -59.07 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.35 177.77 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -123.55 142.86 50.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -157.17 159.53 37.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 87' ' ' ARG . 88.1 mt -104.74 171.7 7.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -152.49 146.63 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.588 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 56.8 tt0 -134.1 147.4 50.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.03 170.1 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -71.61 -45.02 63.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -140.96 153.5 45.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -41.74 -61.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -39.83 -59.67 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OE1' ' A' ' 100' ' ' GLU . 3.6 m-20 -50.55 -42.44 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.443 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 55.9 ttp -59.59 -64.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -37.79 -44.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.81 62.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.495 ' CE2' HD13 ' A' ' 15' ' ' LEU . 42.2 m95 -55.64 -59.51 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.9 mt -42.35 -48.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' THR . 16.8 ttpp -62.31 -68.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 88.4 m -38.13 -60.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.5 mt -53.29 -63.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -42.82 -42.43 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.03 -45.38 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -56.09 -52.02 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -50.57 62.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -57.59 124.39 18.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -91.27 151.36 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.24 169.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.7 m 63.15 42.59 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -135.97 69.62 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 125.51 12.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -86.99 160.97 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.8 m -90.12 144.3 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 54.6 49.15 18.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.388 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 t -132.7 149.29 52.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.98 173.45 31.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -110.76 -40.23 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -110.81 120.94 44.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.78 88.8 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.443 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -66.0 90.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -165.39 115.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -35.35 -45.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -157.45 162.84 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.79 151.26 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.34 153.94 7.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.412 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 89.1 m95 -68.16 115.53 7.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.507 HD13 ' CE2' ' A' ' 108' ' ' TRP . 35.5 mt -136.09 148.12 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.424 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 90.2 m-70 -86.0 110.63 19.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.0 t80 -94.31 119.32 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.413 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 16.8 ttp180 -132.1 99.78 16.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.1 Cg_endo -69.73 151.65 69.28 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -86.56 -64.01 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.466 ' O ' ' C ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -128.11 11.09 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' VAL . 5.8 t -32.74 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -63.62 91.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 25' ' ' GLY . 35.4 ttpt -100.84 155.21 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.444 ' N ' ' HG2' ' A' ' 24' ' ' LYS . . . 34.38 39.33 0.14 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -100.59 -28.44 12.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 110.856 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 52.63 54.98 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.401 HG22 ' CG ' ' A' ' 26' ' ' LYS . 87.9 t -116.13 129.15 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.16 -105.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.52 68.22 0.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 32' ' ' ILE . 1.2 m -63.31 -25.04 68.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.853 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' SER . 57.7 mt -34.22 123.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.454 ' CD ' ' HE3' ' A' ' 36' ' ' LYS . 2.2 ttp180 -137.86 143.6 40.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.434 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 53.5 Cg_endo -69.74 156.37 63.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.413 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 68.6 m95 -39.85 156.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.454 ' HE3' ' CD ' ' A' ' 33' ' ' ARG . 10.2 mttp -125.94 115.3 19.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -84.85 102.76 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.1 ptm -145.0 124.48 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' TYR . 8.9 t80 -42.59 115.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.444 ' CG2' HD23 ' A' ' 49' ' ' LEU . 88.8 t -103.02 118.31 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.98 138.37 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 tp -105.33 110.69 23.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -120.48 100.1 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -103.17 1.8 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.422 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -126.48 10.56 7.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.2 m -121.09 145.37 47.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.41 HD12 ' CG1' ' A' ' 68' ' ' VAL . 10.5 mt -106.19 110.81 23.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -98.63 110.74 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.444 HD23 ' CG2' ' A' ' 40' ' ' VAL . 4.9 mp -96.87 154.4 17.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -149.09 143.08 25.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -73.51 -39.16 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.91 107.33 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.3 tttt -38.42 -48.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -59.98 132.24 53.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 67.17 49.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . 13.5 pt20 -97.56 20.73 11.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.3 p -52.84 -57.68 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 p -75.44 157.82 84.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.554 0.692 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.2 Cg_endo -69.76 175.97 7.38 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' PRO . 10.8 m -34.31 107.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -41.49 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -95.79 -55.14 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.42 176.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -123.46 152.59 65.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.35 53.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' A' ' 90' ' ' THR . 16.4 mt -111.7 131.33 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.1 p -85.18 109.88 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ASN . 30.0 m -77.29 -23.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' VAL . 41.9 t30 -34.54 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 66.74 45.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -91.67 170.37 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.1 mt -125.99 102.66 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 39.6 mt -92.36 145.21 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 45.6 m-20 -163.29 125.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.4 mt -47.2 105.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ILE . 23.4 p -33.84 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.27 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.6 t -79.88 -34.55 39.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -40.55 -45.51 2.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.47 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -49.33 -47.52 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -60.65 163.51 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -108.83 173.19 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.43 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 47.68 51.18 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.8 t -117.16 124.45 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.519 ' CD1' ' HG2' ' A' ' 105' ' ' MET . 1.2 p90 -117.16 132.42 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -88.63 123.57 33.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 tt -120.37 128.21 53.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -113.28 123.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.414 ' CG2' HG21 ' A' ' 66' ' ' ILE . 36.6 p -108.76 148.0 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -43.63 -27.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.62 -72.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -142.78 177.67 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.57 154.8 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.96 163.49 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.0 mt -107.0 171.69 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -152.62 134.56 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.424 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 12.4 tt0 -121.48 135.69 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.8 173.44 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.2 -41.36 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -139.21 152.71 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -44.9 -65.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -40.86 -40.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.11 -48.24 76.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.519 ' HG2' ' CD1' ' A' ' 86' ' ' PHE . 15.6 tmm? -54.09 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.46 HD23 ' CE ' ' A' ' 105' ' ' MET . 4.6 mm? -53.42 -44.4 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 108' ' ' TRP . . . -51.66 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.507 ' CE2' HD13 ' A' ' 15' ' ' LEU . 49.0 m95 -36.51 -57.2 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.4 mt -41.22 -58.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 22.8 ttmt -54.21 -69.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' LYS . 78.3 m -37.66 -62.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.6 mt -53.11 -57.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -47.0 -39.93 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.71 -48.09 80.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.2 m -63.18 -48.71 77.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 m -87.51 48.44 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -118.19 127.18 53.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.8 mt -78.64 138.42 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -119.25 158.7 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 t -46.25 160.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -172.35 151.78 15.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -18.91 36.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.5 m -128.11 141.3 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 m -104.37 -58.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -119.44 121.48 39.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -91.53 168.64 11.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.03 -59.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -68.16 163.67 22.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.903 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -136.09 128.55 30.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.75 -146.87 18.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.59 26.33 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -146.5 112.41 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -35.57 -45.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HE2' ' N ' ' A' ' 108' ' ' TRP . 31.7 tttp -164.87 165.05 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' CD ' ' C ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -165.18 164.3 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.38 159.7 9.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -67.82 110.11 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.523 HD11 ' CD1' ' A' ' 108' ' ' TRP . 33.3 mt -134.03 143.34 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -76.54 109.52 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.501 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.9 t80 -93.99 109.5 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -127.68 96.69 32.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.501 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.0 Cg_endo -69.76 141.35 45.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.2 mt -77.05 -47.35 20.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.06 146.5 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -124.27 -14.75 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -123.62 131.96 53.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -122.33 108.08 12.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.54 50.87 3.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -146.38 175.38 10.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.335 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -126.77 96.9 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.0 t -118.24 142.26 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.39 73.05 0.21 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.2 -176.02 18.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 m -117.59 157.34 26.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.2 mm -80.79 135.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.47 156.12 83.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.4 Cg_endo -69.74 165.23 31.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' PRO . 81.0 m95 -37.17 144.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -121.35 106.15 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -76.3 111.89 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.446 ' HE3' ' CB ' ' A' ' 49' ' ' LEU . 13.1 ptm -150.11 125.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.2 t80 -37.78 117.03 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG2' HD23 ' A' ' 49' ' ' LEU . 62.4 t -107.56 118.39 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.6 148.35 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.0 tp -116.73 110.43 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -122.29 105.34 10.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.28 -106.92 2.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.37 12.66 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 m -124.88 138.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 68' ' ' VAL . 10.9 mt -100.86 115.16 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -102.57 116.17 32.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.58 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 4.2 mp -98.9 159.14 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 40.3 m-85 -152.99 142.97 22.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -71.58 -38.92 70.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -117.35 162.53 17.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 21.3 tttt -109.95 34.19 4.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -108.23 -59.98 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -49.19 -66.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 45.46 40.69 5.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -118.54 -61.34 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 50' ' ' TYR . 3.3 p -76.74 156.86 82.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -29.56 23.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.738 2.292 . . . . 0.0 112.365 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 p -175.14 125.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.55 -70.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -103.97 -56.82 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -56.57 176.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -124.57 153.3 69.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 142.72 48.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 90' ' ' THR . 11.8 mt -109.92 115.74 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -63.53 103.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 47' ' ' LEU . 5.2 m -92.89 23.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.28 -49.23 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.45 65.83 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -96.55 150.6 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.49 105.66 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.4 mt -89.41 143.04 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -161.57 117.82 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 59.8 mt -38.25 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' ILE . 53.6 p -36.29 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.46 163.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -105.73 48.73 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.7 -57.63 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -44.84 141.72 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' HE2' ' C ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.06 50.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.409 ' NH2' ' OE1' ' A' ' 98' ' ' GLN . 19.7 mtp85 -138.89 138.48 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -109.54 153.6 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.61 41.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 60.4 t -120.96 131.03 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.5 p90 -124.34 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -92.77 133.51 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.0 tt -126.22 137.09 53.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -125.23 122.98 38.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.465 ' CG2' HG23 ' A' ' 66' ' ' ILE . 19.1 p -112.49 144.58 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.7 t -37.7 -35.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.36 -69.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.7 m -147.26 177.06 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -106.87 153.86 21.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.494 ' SG ' ' CE1' ' A' ' 17' ' ' PHE . 45.3 t -163.96 162.3 23.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 38.7 mt -111.97 169.81 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -151.26 136.04 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.409 ' OE1' ' NH2' ' A' ' 82' ' ' ARG . 60.8 tt0 -117.1 155.99 28.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.8 -178.31 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.42 -43.5 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -136.72 151.32 49.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -41.75 -58.41 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.81 -52.34 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -57.19 -42.8 81.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -61.47 -50.65 71.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.44 -43.32 79.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.25 -69.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.523 ' CD1' HD11 ' A' ' 15' ' ' LEU . 26.3 m95 -38.3 -56.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 73.0 mt -42.55 -56.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -56.68 -59.93 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.406 HG23 ' CB ' ' A' ' 11' ' ' LYS . 94.9 m -43.15 -59.23 2.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.9 mt -57.68 -55.04 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -50.12 -34.42 22.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -72.9 -49.34 30.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -58.39 -37.69 75.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.8 p -73.94 -49.63 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -49.08 173.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.75 163.61 17.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -104.39 88.77 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.6 t -172.63 128.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -58.24 -89.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 149.47 67.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.1 p -76.59 120.09 21.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.0 m -108.4 157.28 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.45 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 p -119.91 -52.24 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -91.83 -53.0 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.81 -115.42 3.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -121.99 168.66 11.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -97.64 42.05 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.39 -166.18 13.59 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -97.06 22.48 8.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -138.5 114.34 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.4 -45.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 30.5 tttp -160.0 152.5 21.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -150.76 150.82 31.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.07 157.02 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.531 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.456 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 91.0 m95 -67.65 132.45 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 14' ' ' TRP . 30.8 mt -151.67 144.23 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -79.12 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.509 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.4 t80 -94.22 111.69 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 18.2 ttp180 -126.42 96.3 36.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.509 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.494 ' CD2' ' OE2' ' A' ' 94' ' ' GLU . 8.1 mp -82.67 -71.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 p -133.82 141.06 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.0 p -127.37 -42.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.43 105.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -88.21 137.5 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.3 44.88 63.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -153.81 119.9 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -105.16 50.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.9 m -108.29 -12.66 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.96 -90.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.536 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.48 -167.55 31.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.6 m -84.2 158.61 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.885 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 HD11 ' N ' ' A' ' 32' ' ' ILE . 4.8 mp -108.98 149.72 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -100.22 144.59 28.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 160.62 49.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.496 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 93.3 m95 -40.8 133.32 2.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -106.83 94.48 5.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -73.37 107.24 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 13.3 ptm -147.74 137.65 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' TYR . 10.8 t80 -48.68 112.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' CG2' HD21 ' A' ' 49' ' ' LEU . 75.4 t -100.79 123.97 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.34 135.75 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -106.39 114.15 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -125.98 101.55 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.58 -103.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -125.02 9.31 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 m -119.44 145.11 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -108.13 107.55 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -99.07 112.09 24.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD21 ' CG2' ' A' ' 40' ' ' VAL . 5.0 mp -93.0 166.68 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 49' ' ' LEU . 50.1 m-85 -151.33 139.26 19.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -65.07 -40.14 94.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.07 176.16 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -93.37 17.29 11.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.1 ttt85 -58.36 163.52 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 54' ' ' ARG . 8.6 mm-40 -31.67 124.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -83.72 24.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.9 p -74.17 -39.48 63.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.4 p -81.91 153.61 69.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.562 0.696 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' SER . 53.8 Cg_endo -69.74 177.6 5.41 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.745 2.297 . . . . 0.0 112.352 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 59' ' ' PRO . 2.7 p -39.52 160.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -106.38 96.98 6.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 49.26 25.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.0 117.79 18.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -64.82 148.74 97.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 158.5 56.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 90' ' ' THR . 57.4 mt -117.6 98.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 t -63.48 108.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ASN . 22.2 m -81.12 -22.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -36.85 109.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 72.16 48.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.7 p -98.81 174.19 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.5 mp -126.42 102.06 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 74' ' ' ASP . 33.6 mt -93.08 139.75 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.426 ' N ' HG22 ' A' ' 73' ' ' ILE . 9.6 m-20 -158.81 117.64 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 83.4 mt -39.32 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' ASP . 8.4 t -36.57 154.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -48.7 146.39 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 79' ' ' GLU . 80.8 p -80.2 -29.4 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.7 mm-40 -34.61 -42.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.0 t -61.65 138.54 58.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -56.21 -43.04 78.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -55.03 144.23 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 84' ' ' ASN . 2.7 ptpt -110.42 -179.89 3.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 36.9 50.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 54.6 t -113.85 118.87 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.1 p90 -107.45 134.19 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -91.95 119.41 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 90' ' ' THR . 2.1 tt -114.76 132.25 56.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 m -119.87 125.73 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.471 ' CG2' HD22 ' A' ' 88' ' ' LEU . 41.5 p -109.98 145.51 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.7 p -45.96 -22.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.18 -63.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.1 m -146.16 174.98 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 95' ' ' CYS . 0.5 OUTLIER -111.44 151.65 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.501 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 8.5 p -163.68 170.58 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 26.9 mt -119.45 169.47 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.3 m-85 -150.74 141.31 22.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -129.43 138.83 51.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.61 172.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.63 -49.18 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' ARG . 6.0 m-20 -134.91 147.6 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 101' ' ' ASP . 34.9 ttt180 -35.12 -61.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.35 -44.99 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.44 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 16.4 tmm? -50.48 -56.85 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.4 ' CD1' ' CE ' ' A' ' 105' ' ' MET . 4.8 mp -55.56 -44.53 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.37 -44.3 23.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.492 ' CE2' ' HE3' ' A' ' 11' ' ' LYS . 34.8 m95 -67.78 -57.73 5.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.44 ' CD1' ' SD ' ' A' ' 105' ' ' MET . 78.4 mt -45.3 -48.31 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -62.74 -67.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 99.7 m -42.56 -55.74 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.7 mt -57.31 -53.59 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -52.09 -36.62 51.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.17 -49.28 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 m -58.3 -53.89 53.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.7 p -57.53 -46.93 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -40.56 133.87 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.26 48.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -129.01 104.95 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.0 p -133.82 177.29 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -119.69 -106.7 2.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 122.7 9.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.3 m -92.02 -54.0 4.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 m -116.54 109.15 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.435 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -127.39 -58.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.822 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -132.84 157.99 43.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.43 117.94 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -175.0 156.47 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t -87.25 -46.69 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.38 -168.41 23.8 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.426 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.44 1.12 50.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -162.13 112.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.42 -54.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.9 tttp -142.89 163.29 33.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -164.73 159.46 18.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.07 164.44 12.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.498 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 80.0 m95 -74.7 123.88 25.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 HD11 ' NE1' ' A' ' 108' ' ' TRP . 73.5 mt -145.63 146.38 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -80.01 109.34 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.598 ' CE1' ' SG ' ' A' ' 95' ' ' CYS . 15.2 t80 -94.17 110.9 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 23.5 ttt180 -125.15 99.45 34.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.74 142.75 48.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 2.244 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.2 mt -88.94 -51.72 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.14 83.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -118.64 -36.5 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.183 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 24' ' ' LYS . 84.1 m-20 -121.72 45.44 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -36.68 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.88 79.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -143.64 166.71 24.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -115.94 43.15 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.36 134.14 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' GLY . . . 41.02 50.24 4.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . . . 38.39 -140.6 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.468 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.1 m -46.55 171.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.5 mt -87.76 132.43 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.2 mmt-85 -89.99 153.75 47.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.6 Cg_endo -69.8 -171.05 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.548 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 56.0 m95 -37.67 143.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -121.69 106.92 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -73.1 113.92 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.456 ' HE3' ' CB ' ' A' ' 49' ' ' LEU . 10.0 ptm -154.0 126.83 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 13.3 t80 -41.83 115.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.0 t -104.45 123.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.6 t -118.76 141.2 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.05 108.34 19.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 13.3 mtp-105 -122.52 105.33 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.62 -110.43 3.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -122.26 11.78 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.76 145.19 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -102.92 107.36 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -92.41 115.07 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CB ' ' HE3' ' A' ' 38' ' ' MET . 5.2 mp -97.18 163.74 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -154.29 139.44 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -22.31 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.94 134.44 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 8.0 tmtt? -94.97 -14.68 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -44.68 -51.4 9.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -150.1 131.09 14.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -113.82 28.0 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -50.85 -29.95 13.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 p -113.32 155.86 43.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' SER . 53.7 Cg_endo -69.78 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.304 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' PRO . 27.6 p -35.51 139.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -90.5 -56.92 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -121.11 -36.83 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.23 173.16 10.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -121.47 150.8 55.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 144.45 54.28 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.3 mt -119.85 123.98 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -77.43 104.73 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.8 m -71.26 -19.97 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -39.06 112.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 71.92 47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.6 p -98.23 170.3 8.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.6 mp -130.72 102.49 6.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 74' ' ' ASP . 38.6 mt -92.59 147.66 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 73' ' ' ILE . 10.9 m-20 -162.74 126.31 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' SER . 58.9 mt -45.8 103.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 75' ' ' ILE . 24.1 m -35.24 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -45.9 163.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -101.64 55.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -134.25 -33.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 14.1 t -56.17 157.96 4.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 25.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.54 ' NE ' ' CE2' ' A' ' 35' ' ' TRP . 26.8 mtp85 -129.71 127.04 39.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -98.23 155.53 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.2 27.08 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.1 p -101.68 127.26 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -111.68 138.68 47.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -93.56 121.93 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -115.1 136.48 53.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.1 m -120.65 128.37 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.9 p -119.89 155.8 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -55.57 -18.58 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -85.69 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.4 m -152.86 169.37 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -95.45 155.27 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.598 ' SG ' ' CE1' ' A' ' 17' ' ' PHE . 48.1 t -167.65 162.27 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 43.7 mt -117.34 168.61 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -151.51 122.48 7.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -95.93 141.95 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.02 150.59 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.59 -65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -121.94 155.45 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.452 ' HG2' ' CD2' ' A' ' 106' ' ' LEU . 36.8 ttt85 -42.64 -64.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.3 m-20 -34.22 -61.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -45.94 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.0 tmm? -52.86 -59.86 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.452 ' CD2' ' HG2' ' A' ' 102' ' ' ARG . 3.8 mm? -51.94 -51.18 58.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.467 ' NE1' HD11 ' A' ' 15' ' ' LEU . 38.8 m95 -46.89 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 61.1 mt -42.6 -51.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -56.13 -64.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.1 m -43.6 -61.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.6 mt -54.75 -63.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -40.47 -42.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -65.45 -48.58 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.7 m -58.76 -37.52 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.9 p -77.77 -12.69 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -94.26 119.78 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.2 mt -67.21 92.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -126.93 161.5 28.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 m -99.47 139.76 34.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 45.9 81.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -15.97 37.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 90.9 p -87.35 -47.65 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.0 t -64.85 -62.72 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -75.58 115.99 15.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -84.9 128.6 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.75 -146.52 4.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 m 61.39 43.67 10.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -97.18 113.82 25.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.8 164.48 12.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -68.55 172.63 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -55.44 113.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -35.87 -46.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -157.64 165.12 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -162.22 148.04 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.44 157.66 9.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.511 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 84.1 m95 -67.71 120.71 14.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD12 ' CE2' ' A' ' 108' ' ' TRP . 13.9 mt -141.86 150.37 41.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -86.52 104.46 16.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.563 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -94.21 111.48 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -122.18 97.25 45.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.563 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 136.56 33.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 HD11 ' CD ' ' A' ' 94' ' ' GLU . 88.2 mt -84.02 -50.15 8.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.89 136.39 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.4 p -112.49 -40.26 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -127.64 167.05 16.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -75.44 -67.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.16 66.68 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -100.4 -73.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -126.81 56.65 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 m -118.96 149.95 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.87 -106.0 1.85 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.93 -66.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.3 m -67.78 -174.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -167.21 143.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -68.37 152.85 96.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.2 Cg_endo -69.82 -179.36 2.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.535 ' CZ3' ' HB3' ' A' ' 96' ' ' LEU . 59.0 m95 -35.01 143.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -112.96 114.99 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.89 108.28 15.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.2 ptm -150.02 138.39 20.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' TYR . 31.8 t80 -54.73 112.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 71.0 t -97.2 122.39 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.54 128.96 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 tp -98.86 109.98 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -119.64 117.75 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.53 -106.38 1.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -123.97 14.0 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m -126.39 146.14 50.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.79 114.91 29.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -105.57 104.83 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 2.4 mp -90.84 168.02 12.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.538 ' CE1' ' HA ' ' A' ' 60' ' ' SER . 93.8 m-85 -157.61 133.78 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -51.45 -45.97 62.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.88 154.98 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.511 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 tttm -85.52 30.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -66.6 -44.57 81.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -150.29 147.26 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' THR . 9.7 mt-30 -108.79 -51.46 2.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' GLN . 38.9 m -35.09 -56.48 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -52.56 153.73 5.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.57 0.7 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 156.4 63.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.538 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.4 m -49.39 179.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 24.3 mt-10 -103.69 96.06 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 41.18 25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.5 mm-40 -122.99 107.14 11.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 152.77 85.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.29 57.4 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.328 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.8 mt -117.05 98.42 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -53.26 120.21 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ASN . 15.3 m -104.03 -10.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -34.59 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.71 62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.5 p -111.86 175.5 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.09 110.93 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.462 ' CD1' ' HB ' ' A' ' 112' ' ' ILE . 42.4 mt -87.52 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -163.23 122.38 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 76' ' ' SER . 63.2 mt -41.11 102.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.483 ' C ' ' O ' ' A' ' 75' ' ' ILE . 1.5 p -31.4 144.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.82 126.15 11.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -45.7 -24.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -39.96 -53.86 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.2 t -57.93 151.91 17.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -84.62 -36.84 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.442 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 59.2 mtt-85 -44.57 126.69 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -92.89 150.31 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 62.45 45.2 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.424 ' CG1' ' OG ' ' A' ' 76' ' ' SER . 7.4 p -113.8 136.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.3 p90 -123.78 132.92 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 61.0 ttp85 -90.61 120.95 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.446 HD23 ' CG2' ' A' ' 90' ' ' THR . 1.5 tt -111.89 134.82 53.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 60.4 m -125.86 120.58 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.446 ' CG2' HD23 ' A' ' 88' ' ' LEU . 34.9 p -107.75 140.91 40.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 t -43.08 -30.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -55.77 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -154.09 176.8 11.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.498 ' OE1' ' N ' ' A' ' 95' ' ' CYS . 1.1 tm-20 -113.71 151.57 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.498 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 29.8 p -167.7 155.65 8.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.535 ' HB3' ' CZ3' ' A' ' 35' ' ' TRP . 21.0 mt -102.0 170.21 8.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -154.08 125.38 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.442 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 41.4 tt0 -114.05 140.7 48.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.31 -177.79 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -98.24 -62.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.0 139.32 38.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -42.78 -57.25 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.28 -46.5 35.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -58.78 -44.7 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -56.79 -55.03 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.62 -39.9 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -55.74 31.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.433 ' CE2' HD12 ' A' ' 15' ' ' LEU . 38.8 m95 -49.2 -51.11 34.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -48.4 -54.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -60.16 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.2 m -40.35 -63.13 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.462 ' HB ' ' CD1' ' A' ' 73' ' ' ILE . 15.7 mt -56.76 -59.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -42.49 -37.39 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.66 -50.28 45.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.7 p -54.56 -36.31 64.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.5 p -79.29 -30.7 43.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -65.88 154.22 39.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.424 ' N ' HD23 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -92.66 40.81 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 100.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.6 t -136.11 135.9 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.09 -95.36 0.98 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 113.24 3.32 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.0 m -90.31 -61.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 t -95.55 131.89 41.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -137.43 125.72 23.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -133.62 106.11 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.79 98.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.5 p -61.17 144.48 53.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -66.1 172.35 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.32 -153.28 24.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.37 161.19 15.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.31 128.33 35.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.18 81.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 35.2 tttp -150.68 165.23 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -160.53 144.79 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.72 157.91 12.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -75.57 122.93 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD13 ' CE2' ' A' ' 108' ' ' TRP . 22.1 mt -143.54 149.33 37.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -78.69 110.87 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -94.19 116.24 28.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.508 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 36.8 ttp85 -134.32 96.15 15.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.75 141.63 45.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' N ' HD21 ' A' ' 20' ' ' LEU . 4.4 mm? -73.63 -50.91 18.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 p -169.02 138.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.5 p -107.25 -41.05 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.86 90.5 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -72.07 -54.62 9.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.4 -45.57 52.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.56 155.07 29.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.307 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -78.98 124.28 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.1 t -141.29 118.43 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.14 -172.41 1.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' SER . . . -64.29 141.58 44.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -38.0 111.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 31' ' ' SER . 5.4 mp -35.3 -51.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -127.02 156.32 74.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.6 Cg_endo -69.77 -164.94 0.14 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.508 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 82.9 m95 -34.15 133.5 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -107.29 102.52 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -75.94 108.56 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 ptm -147.1 136.74 22.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' TYR . 19.5 t80 -48.36 111.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.4 t -100.27 122.5 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -112.54 137.81 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.8 112.33 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.411 ' HD3' ' CD2' ' A' ' 48' ' ' TYR . 65.6 mtp180 -121.15 99.72 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.09 -97.18 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -124.83 11.71 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.8 m -121.56 144.58 48.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 9.6 mt -115.28 108.12 16.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.411 ' CD2' ' HD3' ' A' ' 43' ' ' ARG . 83.3 m-85 -95.51 114.72 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.7 mp -95.55 157.99 15.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' TYR . 81.5 m-85 -154.35 134.55 13.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -60.66 -41.83 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -133.58 129.3 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.459 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 64.6 tttt -74.94 -44.1 50.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' LYS . 38.5 mtm180 -35.72 -38.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -155.23 129.81 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -84.12 36.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' THR . 9.9 t -94.67 -22.68 17.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 51.2 p -33.99 150.95 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.573 0.702 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -29.02 24.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -79.68 -10.64 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -50.71 -24.92 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.4 mm-40 -59.32 -31.64 69.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -32.53 110.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -61.57 150.77 80.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 164.8 33.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.618 2.212 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.1 mt -115.09 102.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 p -54.71 107.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' ASN . 23.2 m -78.93 -21.56 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' VAL . 6.3 t30 -37.66 115.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 70.92 44.3 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.3 p -95.81 -178.77 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mt -142.85 110.52 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 33.6 mt -97.6 144.4 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 17.5 m-20 -163.12 118.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.9 mt -42.24 99.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' ILE . 27.0 t -35.69 149.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 27.7 p90 -36.48 142.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.7 m -87.89 51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -45.09 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -52.93 121.19 6.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -38.46 -38.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 133.63 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 2.8 mppt? -100.24 171.95 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER 46.03 50.25 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.38 121.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -115.93 130.55 56.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -90.76 124.78 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.69 133.44 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.0 m -118.62 123.84 45.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' ASP . 57.5 p -107.93 140.49 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.6 t -40.28 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' THR . 34.1 t0 -82.51 -61.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.3 m -149.93 176.62 10.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -112.55 144.69 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.462 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 27.1 m -151.59 178.94 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mt -124.9 165.81 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 65.8 m-85 -151.14 147.87 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.33 146.11 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.74 172.68 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.25 -42.92 35.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -142.37 152.56 42.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -39.23 -62.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.55 -54.2 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -59.22 -42.5 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.438 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 16.2 tmm? -54.81 -55.38 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.42 ' CD1' ' CE ' ' A' ' 105' ' ' MET . 3.3 mp -57.43 -49.47 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.26 -42.09 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.433 ' CE2' HD13 ' A' ' 15' ' ' LEU . 41.7 m95 -68.05 -58.26 4.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.438 ' CD1' ' SD ' ' A' ' 105' ' ' MET . 95.3 mt -45.1 -48.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -59.52 -67.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 89.6 m -41.42 -61.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.2 mt -52.99 -64.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -41.13 -41.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.88 -46.96 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m -57.93 -42.89 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.39 43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -133.16 115.86 15.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.9 mt -47.02 124.43 6.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 120' ' ' SER . 43.2 t-20 -104.02 84.51 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ASN . 50.5 p -37.61 -48.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -164.78 145.85 10.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 100.15 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.1 m -61.55 -50.96 70.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.7 p -127.74 131.68 49.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -79.78 -47.13 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -98.55 -56.83 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.44 -146.56 13.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -160.89 173.45 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -125.83 136.01 52.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.45 -55.81 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -47.78 107.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 8' ' ' ASP . . . -34.1 120.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.21 -49.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -158.65 154.5 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.62 153.57 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.6 148.49 5.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -67.62 120.93 14.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 108' ' ' TRP . 14.5 mt -139.86 148.32 41.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.24 109.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -94.26 107.95 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.521 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 55.1 ttt180 -118.67 98.88 51.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 141.59 45.68 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.5 mt -84.42 -49.57 8.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.75 162.65 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -135.04 -51.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -47.23 156.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -57.63 7.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.42 90.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -145.04 171.03 15.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -125.48 46.99 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.9 m -83.93 144.4 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.29 108.72 2.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.07 -158.54 14.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.2 m 57.27 47.34 17.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -140.21 148.66 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -106.04 152.59 40.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.7 Cg_endo -69.74 -178.35 2.3 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.521 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 69.6 m95 -37.01 150.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -131.63 93.38 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -61.71 111.83 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.425 ' CE ' ' HB3' ' A' ' 49' ' ' LEU . 19.4 ptm -153.48 132.25 12.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.562 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.5 t80 -46.05 116.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' CG1' HD21 ' A' ' 47' ' ' LEU . 53.7 t -107.03 121.1 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.51 135.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 tp -103.72 116.95 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -131.54 100.73 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.25 -107.22 2.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -127.0 11.86 7.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -127.67 142.5 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.46 HD21 ' CG1' ' A' ' 40' ' ' VAL . 12.4 mt -100.73 119.8 39.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -103.18 102.85 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.425 ' HB3' ' CE ' ' A' ' 38' ' ' MET . 4.6 mp -85.73 153.85 22.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -72.17 -25.91 61.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -146.42 130.26 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.562 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 36.4 tttt -84.09 41.6 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -98.62 -69.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 56' ' ' GLN . 22.4 pm0 -67.15 -31.19 71.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.516 ' C ' ' O ' ' A' ' 55' ' ' GLU . 35.6 mt-30 27.96 44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' GLU . 2.4 p -115.23 -74.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 p -52.16 153.63 4.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.55 0.691 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -20.84 34.2 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 p -174.15 143.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.86 -46.23 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -130.89 -60.78 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -60.53 -176.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -128.07 153.19 78.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 142.42 48.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.376 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.1 mt -112.2 124.87 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 p -75.21 99.18 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.6 m -71.97 -17.89 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -41.23 111.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 73.09 45.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -93.27 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -129.75 103.13 6.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 74' ' ' ASP . 40.8 mt -93.22 143.88 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' N ' HG21 ' A' ' 73' ' ' ILE . 56.3 m-20 -162.31 123.63 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' SER . 62.6 mt -42.22 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 75' ' ' ILE . 3.4 m -36.84 155.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.46 ' CD1' ' OG1' ' A' ' 80' ' ' THR . 9.1 p90 -50.06 179.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -91.39 -32.53 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.64 53.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.46 ' OG1' ' CD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -116.9 -4.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 tttt 50.17 26.39 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.479 ' NE ' ' NE1' ' A' ' 35' ' ' TRP . 51.5 mtt85 -138.86 138.04 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -98.3 153.09 18.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER 60.38 38.62 19.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 86' ' ' PHE . 71.2 t -107.17 137.01 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -129.15 139.52 51.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -91.41 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 tt -130.82 135.55 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.6 m -127.52 120.82 29.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 21.7 p -104.27 163.17 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 m -55.79 -33.54 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.93 -61.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 71.6 m -153.5 176.98 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -111.18 160.39 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.7 p -163.24 175.79 10.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.5 mt -119.34 164.34 15.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.8 m-85 -150.53 140.79 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -128.76 138.37 52.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.44 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -85.05 -36.09 21.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -141.04 153.25 45.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttm180 -49.05 -49.26 42.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -54.86 -43.51 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.76 -43.72 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 10.1 ttp -58.62 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.46 ' N ' HD21 ' A' ' 106' ' ' LEU . 4.3 mm? -52.26 -41.58 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.65 88.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.511 ' CE2' ' HE3' ' A' ' 11' ' ' LYS . 42.1 m95 -65.16 -54.22 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.8 mt -48.07 -52.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.58 -61.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.4 m -40.59 -57.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.27 -55.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -49.76 -32.34 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.91 -49.0 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -59.72 -46.53 88.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.7 p -64.55 -50.67 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -72.13 115.42 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.54 -46.44 88.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -62.08 106.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.3 p -88.63 42.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.59 -171.82 23.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 123' ' ' SER . 53.9 Cg_endo -69.76 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.373 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 122' ' ' PRO . 71.1 p -34.09 116.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.3 t -66.64 -53.12 37.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -139.61 127.78 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.393 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -121.26 84.6 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.96 -111.34 2.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -87.99 133.18 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -61.96 -49.39 76.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.7 57.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -124.1 151.33 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.92 112.55 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.56 -45.03 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -161.9 159.21 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -156.43 156.89 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.49 165.42 15.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -76.49 124.01 26.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.52 HD12 ' CE2' ' A' ' 108' ' ' TRP . 11.8 mt -142.21 153.53 44.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.499 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 61.5 m-70 -88.36 108.99 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -95.26 115.38 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.531 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 26.6 ttt180 -124.43 100.24 35.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.59 0.71 . . . . 0.0 110.808 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.37 37.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mp -76.65 -54.7 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.8 135.52 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -117.9 -36.78 3.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.425 ' OD2' ' CG2' ' A' ' 28' ' ' VAL . 1.2 p-10 -75.34 176.88 7.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -89.98 -62.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -144.91 54.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.2 mmtt -117.44 165.72 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 103.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' CG2' ' OD2' ' A' ' 23' ' ' ASP . 95.4 t -100.44 112.35 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.2 116.44 0.73 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.63 -35.19 2.87 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.79 15.14 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mm -125.7 145.66 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.16 149.66 89.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.7 Cg_endo -69.73 -170.03 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.552 ' NE1' ' NH2' ' A' ' 82' ' ' ARG . 49.4 m95 -35.19 152.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -124.45 91.91 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 27.6 tt0 -64.46 111.68 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.6 ptm -156.79 132.92 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.49 ' CZ ' ' HD3' ' A' ' 53' ' ' LYS . 10.7 t80 -46.37 112.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.5 t -103.47 127.15 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.3 t -120.82 136.46 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -104.75 108.02 19.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -120.55 104.12 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.78 -105.66 1.85 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -125.99 14.08 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -124.03 138.91 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.91 106.36 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 46.2 m-85 -93.02 113.1 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -94.0 151.12 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 56.1 m-85 -148.24 138.68 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.46 -36.12 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -119.68 154.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.49 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 14.0 tptp -82.51 -30.31 29.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -50.6 -177.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ARG . 18.6 mt-10 -33.98 146.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.468 ' HG3' ' CE1' ' A' ' 50' ' ' TYR . 8.5 mp0 -75.7 56.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 p -129.11 61.72 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.67 159.42 33.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.691 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -33.67 16.28 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.4 p -70.25 -19.19 63.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -42.97 -34.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.95 -39.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -42.85 103.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -52.04 151.18 6.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.702 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.43 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.7 Cg_endo -69.77 155.19 66.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 50.7 mt -110.16 106.37 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 m -62.73 110.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' ASN . 30.6 m -81.22 -23.31 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' VAL . 12.9 t-20 -37.36 115.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 73.04 42.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.5 p -95.58 170.59 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.2 mt -130.03 106.8 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.1 mt -93.3 149.71 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -161.4 130.44 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.0 mt -52.8 102.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 75' ' ' ILE . 24.4 m -31.91 138.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -37.13 131.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -75.86 46.68 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -119.6 -43.13 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 t -46.52 168.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' ARG . 11.8 ptmt -78.11 -47.95 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.552 ' NH2' ' NE1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -66.0 148.08 52.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -110.7 -174.56 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.452 ' C ' ' SD ' ' A' ' 105' ' ' MET . 2.9 m-80 44.18 25.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.0 p -98.06 124.78 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.565 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 1.4 p90 -111.49 155.7 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -109.38 153.23 24.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.4 tt -144.11 141.13 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 95.3 m -126.49 123.82 38.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 29.0 p -115.38 145.49 42.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -45.38 -22.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.83 -69.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 23.5 m -147.65 175.58 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -105.25 155.44 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.5 p -168.07 176.02 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.547 HD13 ' CH2' ' A' ' 35' ' ' TRP . 75.7 mt -123.18 168.49 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.421 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 75.4 m-85 -151.08 127.93 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.48 ' NE2' ' HB2' ' A' ' 82' ' ' ARG . 33.4 tt0 -114.37 143.1 45.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -109.38 169.78 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.8 pt-20 -76.84 -46.61 24.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 6.1 t0 -131.43 158.99 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -49.19 -57.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -48.96 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -33.75 62.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.565 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 58.0 ttp -71.88 -54.78 8.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -48.38 -37.6 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.65 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.52 ' CE2' HD12 ' A' ' 15' ' ' LEU . 35.1 m95 -55.77 -54.23 46.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -47.59 -60.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -53.82 -62.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -42.69 -62.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mt -54.81 -61.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -44.33 -37.97 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -68.47 -50.25 53.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.5 m -54.21 -47.2 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.7 p -62.02 -44.44 96.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -61.63 169.56 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.401 ' H ' ' CD2' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -84.16 161.77 20.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -134.09 112.7 11.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -156.93 163.31 39.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.79 145.98 12.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 118.6 5.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.7 t -119.03 128.75 54.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 t -136.77 141.07 42.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -100.53 144.71 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -80.56 165.74 21.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.85 40.1 2.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -125.36 105.13 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -136.4 132.11 35.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.88 -107.53 0.54 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -53.18 135.68 37.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.13 109.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.18 -44.0 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 18.9 tttp -161.9 163.34 29.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -161.96 156.24 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.7 16.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.487 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 97.4 m95 -70.97 132.22 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD12 ' CE2' ' A' ' 108' ' ' TRP . 26.5 mt -153.33 155.95 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -91.33 106.48 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.18 110.69 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -124.74 95.69 42.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 HD11 ' CG ' ' A' ' 94' ' ' GLU . 97.0 mt -83.86 -56.66 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.07 150.27 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -128.67 -28.04 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -116.36 156.97 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -109.31 97.78 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.86 69.61 1.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.56 120.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -86.33 130.39 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -119.6 -12.63 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.66 -143.92 4.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.31 -87.18 1.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.4 p -89.03 141.3 28.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.431 HG23 ' N ' ' A' ' 33' ' ' ARG . 18.8 mt -65.32 148.27 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 ' N ' HG23 ' A' ' 32' ' ' ILE . 70.5 mtt180 -72.83 152.13 91.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.74 6.35 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.465 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 72.9 m95 -49.34 157.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -131.32 95.42 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.956 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -70.56 113.02 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.432 ' HE2' ' CB ' ' A' ' 49' ' ' LEU . 15.9 ptm -153.8 127.02 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 6.5 t80 -36.67 115.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.1 t -106.7 121.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.86 141.69 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 tp -116.61 113.03 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -123.88 94.89 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.45 -99.86 1.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.04 14.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -123.22 133.1 54.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.3 mt -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -108.25 109.32 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' CB ' ' HE2' ' A' ' 38' ' ' MET . 5.2 mp -92.67 161.6 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -150.82 138.94 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 8.2 ptpp? -66.21 -31.83 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 22.7 p-10 -145.67 124.7 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 29.5 pttt -68.4 -3.43 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -51.23 -41.39 60.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -126.9 90.8 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -73.37 -39.15 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.4 m -44.99 -63.08 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 p -45.11 151.91 0.63 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -176.56 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.377 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 p -55.3 -179.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.3 mm-40 -120.16 103.66 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 41.1 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' GLU . 6.8 mm-40 -131.98 133.11 44.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -83.66 151.57 61.8 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.83 52.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 35.9 mt -103.91 103.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 110.84 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m -83.94 25.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -65.28 115.05 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.15 50.87 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.45 147.51 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tp -104.78 106.41 16.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.42 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 45.6 mt -94.22 145.7 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 8.4 m-20 -163.19 129.21 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' SER . 76.7 mt -48.51 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 75' ' ' ILE . 57.3 p -41.21 163.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.55 ' CE2' HG23 ' A' ' 80' ' ' THR . 6.7 p90 -50.79 178.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.7 p -105.62 -26.62 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' SER . 9.1 mp0 -35.17 -55.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.55 HG23 ' CE2' ' A' ' 77' ' ' TYR . 1.8 t -59.03 135.05 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 81' ' ' LYS . 9.9 mptt -60.3 -53.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' LYS . 57.4 mtt85 -34.5 121.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -95.23 170.57 9.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.89 39.95 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 86' ' ' PHE . 92.3 t -107.32 138.7 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.563 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.5 OUTLIER -128.24 143.58 51.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -96.9 127.2 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.462 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.1 tt -123.36 148.41 46.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.8 m -134.87 123.18 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.462 ' CG2' HD21 ' A' ' 88' ' ' LEU . 76.6 p -108.66 139.95 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -40.75 -25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' THR . 0.8 OUTLIER -82.28 -62.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.83 177.66 9.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.427 ' CG ' HD11 ' A' ' 20' ' ' LEU . 68.5 tt0 -118.21 135.66 54.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.466 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 16.0 p -140.33 178.14 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.465 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 12.1 mt -123.37 154.47 38.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.466 ' CE2' ' SG ' ' A' ' 95' ' ' CYS . 65.7 m-85 -138.07 152.8 49.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -137.15 138.92 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.77 170.01 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.3 pt-20 -79.99 -45.22 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 10.4 t0 -128.76 166.26 19.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -57.74 -47.13 83.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -43.48 97.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.57 -42.34 74.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.563 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 45.7 ttp -67.17 -53.68 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.97 -45.07 30.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.23 76.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.518 ' CE2' HD12 ' A' ' 15' ' ' LEU . 46.2 m95 -62.5 -55.29 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 84.1 mt -47.25 -53.09 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -60.85 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 97.1 m -42.58 -61.87 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.89 -56.71 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -47.87 -37.89 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.86 -44.87 88.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 m -62.96 -48.3 79.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.6 p -71.57 -26.43 62.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -69.57 163.05 26.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.447 HD13 ' C ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -90.6 38.72 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' SER . 3.0 m120 -37.0 104.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' ASN . 3.1 m -35.05 118.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -49.26 -77.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 93.38 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.698 2.266 . . . . 0.0 112.288 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -83.88 -53.75 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.0 t -46.66 113.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -163.41 162.76 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -72.29 142.54 48.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.69 -40.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m -89.39 170.75 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -74.47 121.92 22.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.41 123.55 5.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.6 149.29 50.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.804 0.335 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.5 112.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.77 -48.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 16.0 tttp -157.21 158.11 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.34 151.2 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.39 163.68 17.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -70.78 118.25 13.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 108' ' ' TRP . 56.1 mt -137.4 148.64 46.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.404 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 93.5 m-70 -85.65 105.65 16.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.55 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.8 t80 -94.0 114.58 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -128.94 99.63 21.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.72 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.55 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.73 140.75 43.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -80.56 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.32 131.9 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 p -129.22 -63.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.56 146.06 1.63 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -107.02 83.29 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.54 53.11 40.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -131.87 130.47 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -90.87 42.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.53 162.2 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.4 -171.41 4.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -132.54 -99.36 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -84.46 131.44 34.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.53 131.04 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -55.24 159.39 4.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.52 3.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.463 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 77.9 m95 -46.39 142.93 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -114.81 88.79 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.404 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 37.9 tt0 -62.6 117.71 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 14.8 ptm -155.81 133.97 11.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' CE2' ' NE2' ' A' ' 56' ' ' GLN . 9.8 t80 -45.58 115.91 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.5 t -106.1 121.8 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.7 t -112.3 139.52 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.5 tp -111.3 112.94 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -122.32 95.54 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 -100.39 1.0 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' VAL . 10.4 p-80 -124.74 14.1 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -123.73 134.18 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -104.2 113.73 27.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -103.74 116.42 32.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mp -101.14 158.37 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -147.29 126.75 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -42.62 -35.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' OD2' ' CZ ' ' A' ' 54' ' ' ARG . 42.7 p30 -144.93 -179.33 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -95.43 27.04 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CZ ' ' OD2' ' A' ' 52' ' ' ASP . 18.5 ttp-105 -101.64 137.98 39.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 49.07 54.99 9.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.401 ' NE2' ' CE2' ' A' ' 39' ' ' TYR . 8.4 tt0 -81.75 38.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.6 p -91.47 -40.11 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -93.71 155.24 40.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.621 0.724 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.2 Cg_endo -69.7 177.53 5.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 59' ' ' PRO . 86.5 p -31.96 120.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -94.62 -59.52 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -76.7 -49.05 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -93.15 177.85 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.06 153.21 43.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 141.25 44.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.461 HG22 ' CG2' ' A' ' 90' ' ' THR . 30.7 mt -109.6 127.92 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.0 p -78.15 90.58 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' HIS . 17.7 m -84.14 28.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.17 -43.05 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.12 54.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -90.56 144.06 26.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.64 105.39 15.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -88.54 149.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 76' ' ' SER . 18.8 m-20 -160.81 128.97 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.5 mt -48.12 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' ASP . 38.4 t -36.1 150.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -41.63 160.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLU . 78.9 p -93.17 -26.26 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' SER . 16.3 mm-40 -34.29 -46.85 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -63.44 112.4 2.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -40.25 -46.57 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.71 145.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -120.66 153.11 37.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 37.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.99 146.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.9 OUTLIER -143.58 140.69 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 96' ' ' LEU . 17.2 mtp180 -88.55 161.29 17.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 tt -155.96 128.33 7.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 89.3 m -115.66 124.26 50.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.461 ' CG2' HG22 ' A' ' 66' ' ' ILE . 30.1 p -118.88 144.96 46.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.8 p -44.18 -27.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.29 -66.92 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.5 m -152.59 177.57 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -109.7 155.96 20.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.46 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 21.9 p -167.43 170.95 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.474 ' CD2' ' HG3' ' A' ' 87' ' ' ARG . 4.8 mt -114.36 160.45 19.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.499 ' O ' ' CD1' ' A' ' 86' ' ' PHE . 82.5 m-85 -142.51 123.82 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -100.5 169.42 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.27 167.27 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.72 -67.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.4 t70 -122.88 152.85 40.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' ASP . 47.0 ttt180 -36.21 -53.18 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -51.18 -50.1 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.44 -43.36 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.57 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 59.5 ttp -60.47 -58.41 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.31 -42.95 42.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.1 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.509 ' CE2' HD11 ' A' ' 15' ' ' LEU . 41.3 m95 -61.49 -57.46 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.4 mt -43.49 -54.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -58.37 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.8 m -43.35 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.6 mt -58.78 -64.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -41.11 -39.58 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.27 -46.51 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -64.42 -47.36 79.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.3 p -65.78 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.13 121.45 15.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.5 mt -53.83 123.84 13.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -113.14 104.77 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 78.9 p -86.88 118.46 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.04 143.16 3.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 1.59 4.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.273 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.6 p -76.37 58.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.1 t -53.58 130.66 36.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -88.85 -54.34 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.3 p -66.87 148.61 51.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.76 70.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -71.56 -56.92 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -110.16 147.97 32.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.44 79.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.439 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.51 104.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.04 124.1 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.78 -49.15 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.3 tttp -150.27 162.99 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -164.23 161.65 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.78 166.64 14.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -72.62 132.77 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD11 ' NE1' ' A' ' 108' ' ' TRP . 80.1 mt -157.64 141.56 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -76.71 107.39 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -94.2 110.32 22.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 65.7 ttt-85 -128.26 101.88 21.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.424 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 53.7 Cg_endo -69.73 140.61 43.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 HD23 ' CA ' ' A' ' 95' ' ' CYS . 4.1 mm? -69.14 -50.35 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p -170.52 151.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -170.26 154.4 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 68.58 41.51 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.17 165.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.91 43.58 99.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -147.51 145.11 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -65.69 97.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.5 p -174.29 156.23 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.08 113.08 1.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.65 -40.24 2.68 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -88.63 48.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 57.5 mt -142.12 139.96 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -51.57 153.71 3.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.48 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.4 Cg_endo -69.81 -163.42 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.486 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 55.7 m95 -32.09 136.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -105.94 114.59 28.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -86.16 112.23 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.44 ' HE3' ' CB ' ' A' ' 49' ' ' LEU . 12.4 ptm -151.81 137.68 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -49.79 115.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.3 t -103.68 124.53 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.3 t -120.45 139.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -104.68 123.44 47.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -134.84 103.2 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.54 -109.97 2.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -119.66 6.32 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -121.57 144.4 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.06 118.85 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -104.82 116.05 31.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.44 ' CB ' ' HE3' ' A' ' 38' ' ' MET . 4.9 mp -97.01 163.27 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -143.73 125.02 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -41.48 -44.14 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -145.87 165.99 27.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -84.91 27.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -62.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -147.46 138.5 23.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 57' ' ' THR . 10.4 mp0 -99.98 -33.6 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 56' ' ' GLN . 1.8 t -33.45 -38.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' GLN . 16.7 p -91.57 155.04 44.21 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -179.96 3.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.704 2.27 . . . . 0.0 112.354 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 p -50.49 -177.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 63' ' ' GLU . 17.3 mm-40 -108.56 -170.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 61' ' ' GLU . 6.2 mm-40 -32.73 -36.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -50.98 169.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -114.73 142.25 28.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 157.15 61.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.0 mt -119.61 116.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -73.46 104.91 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 10.3 m -83.47 15.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.0 115.06 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.46 52.65 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.9 p -90.64 173.74 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -127.19 104.03 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.4 mt -96.07 142.97 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-20 -161.9 119.8 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 75.3 mt -35.5 98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' ILE . 18.6 t -35.28 152.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -42.27 165.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.7 p -111.7 66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.11 -35.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 81' ' ' LYS . 2.9 t -71.31 124.5 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 80' ' ' THR . 30.9 mtmt -34.54 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -41.37 139.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.35 162.47 17.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 62.23 48.8 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -114.33 135.4 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -120.85 132.69 55.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -88.76 135.11 33.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 90' ' ' THR . 2.3 tt -132.38 137.09 47.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.1 m -127.66 123.91 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.471 ' CG2' HD22 ' A' ' 88' ' ' LEU . 19.0 p -107.34 146.76 31.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -41.13 -25.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' THR . 14.2 t70 -82.15 -70.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 m -143.85 177.62 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.418 ' C ' ' SG ' ' A' ' 95' ' ' CYS . 41.5 tt0 -110.27 153.83 24.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.424 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 3.5 m -155.69 -179.12 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.486 HD12 ' CH2' ' A' ' 35' ' ' TRP . 23.6 mt -128.86 162.88 26.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 81.5 m-85 -149.09 132.5 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -110.19 148.38 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 146.88 47.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -63.04 -61.18 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.0 m-20 -122.86 147.97 45.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 101' ' ' ASP . 26.3 ttm180 -36.51 -61.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ARG . 24.3 t0 -37.42 -61.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.18 -50.05 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' LEU . 41.7 ttp -56.36 -70.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' MET . 4.6 mm? -37.27 -40.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.472 ' NE1' HD11 ' A' ' 15' ' ' LEU . 53.5 m95 -55.81 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.5 mt -38.65 -54.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.94 -66.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 47.6 m -41.7 -60.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 24.1 mt -53.72 -61.01 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -45.2 -41.05 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -60.6 -44.33 96.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 m -75.07 -29.68 60.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.7 p -100.16 36.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.51 162.62 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 mt -90.06 -46.3 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -75.51 85.24 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -116.36 135.23 54.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -117.53 -157.92 10.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.96 4.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.1 m -39.26 -47.48 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -81.76 96.58 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -99.98 139.34 35.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -78.15 156.52 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.06 -43.95 1.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -43.74 139.63 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -104.89 156.44 18.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.49 -111.36 0.61 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -38.88 152.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.84 114.74 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.48 -44.92 55.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 17.5 tttp -158.79 163.53 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -162.97 136.52 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.54 159.34 22.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.458 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -68.32 128.84 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 108' ' ' TRP . 22.9 mt -153.33 147.27 25.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -83.97 111.43 19.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -94.28 115.39 27.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -128.85 102.59 19.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.58 33.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 20' ' ' LEU . 4.4 mm? -68.74 -59.36 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.78 154.11 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.4 p -125.53 -29.49 3.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -79.5 -48.55 13.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? 48.65 40.12 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.08 -67.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.43 176.66 8.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.811 0.338 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -92.49 92.26 7.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 m -70.51 -21.39 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.85 78.95 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.416 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.96 -173.88 25.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.7 p -89.91 178.94 6.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.847 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -111.86 -58.46 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -137.05 152.85 74.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 178.37 4.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -39.6 160.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -131.01 95.18 3.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.27 111.14 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 ptm -156.62 128.0 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.535 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 21.0 t80 -44.91 114.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t -100.25 118.82 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.07 132.46 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 tp -108.13 113.29 26.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -124.44 96.3 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.51 -102.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -124.87 13.45 8.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -122.92 136.18 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -107.46 107.34 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -96.01 121.87 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -102.88 156.91 17.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -148.81 136.28 20.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -43.55 -51.71 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.442 ' HB3' ' CG2' ' A' ' 58' ' ' THR . 11.5 t70 -137.92 167.02 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.535 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 25.1 tttp -88.15 45.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.501 ' O ' ' CG2' ' A' ' 57' ' ' THR . 2.4 tpp180 -94.77 84.96 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.0 OUTLIER 42.15 48.49 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' GLU . 15.5 mp0 33.69 34.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 54' ' ' ARG . 14.3 t -102.79 -28.62 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.454 ' N ' HG22 ' A' ' 57' ' ' THR . 16.4 p -41.39 155.39 0.22 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.701 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -168.41 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.0 24.98 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' GLU . 14.9 mt-10 -70.21 -43.99 69.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 7.1 pm0 -38.15 -32.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 8.1 mp0 -52.76 98.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -58.5 148.07 66.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.689 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.12 69.28 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.377 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.47 HG21 ' CG2' ' A' ' 90' ' ' THR . 53.3 mt -94.13 97.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 107.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.75 26.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.21 -36.33 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.04 45.28 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.32 174.96 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -136.31 113.88 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 74' ' ' ASP . 50.5 mt -97.56 141.63 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.527 ' N ' HG22 ' A' ' 73' ' ' ILE . 53.5 m-20 -157.65 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.8 mt -43.05 98.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' TYR . 38.4 t -43.62 145.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.566 ' CE2' ' HB ' ' A' ' 80' ' ' THR . 15.4 p90 -32.71 139.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -91.34 57.31 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -133.61 -35.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.566 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 8.2 t -56.69 123.44 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.0 mtpp -33.09 -41.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.485 ' HD3' ' NE2' ' A' ' 98' ' ' GLN . 4.5 mmp_? -44.97 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -137.07 146.7 45.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 49.28 55.03 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.424 HG21 ' CB ' ' A' ' 82' ' ' ARG . 90.8 t -113.81 128.99 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -113.48 137.37 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.64 129.87 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.455 HD22 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -124.26 131.48 53.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 88.4 m -123.11 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 92' ' ' ASP . 17.0 p -114.43 139.68 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.6 t -39.45 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' THR . 5.2 t0 -76.12 -70.03 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.2 m -147.43 176.48 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' CB ' ' HB2' ' A' ' 20' ' ' LEU . 3.3 mt-10 -105.53 156.09 18.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 25.3 p -167.73 172.77 8.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.17 166.16 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -150.46 124.8 9.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.485 ' NE2' ' HD3' ' A' ' 82' ' ' ARG . 30.7 tt0 -102.62 153.11 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.461 ' N ' ' HG2' ' A' ' 98' ' ' GLN . . . -124.81 -177.68 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -105.7 -61.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -105.52 140.84 38.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -45.44 -44.74 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.53 -45.31 92.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.409 ' HG2' ' CD1' ' A' ' 86' ' ' PHE . 15.0 tmm? -55.29 -50.31 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.02 -45.89 89.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.31 -56.82 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.513 ' CE2' HD11 ' A' ' 15' ' ' LEU . 39.3 m95 -50.39 -53.24 30.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -45.87 -51.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 111' ' ' THR . 1.8 ttmp? -58.29 -70.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 110' ' ' LYS . 29.0 m -37.41 -58.73 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.477 ' CG2' HD12 ' A' ' 73' ' ' ILE . 16.3 mt -57.14 -56.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -47.75 -39.89 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.04 -45.94 89.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 p -69.33 -37.68 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.2 p -81.73 43.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -150.71 115.88 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.99 -57.38 12.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 46.15 42.67 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.2 t -112.3 127.16 55.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.44 ' N ' ' HD2' ' A' ' 122' ' ' PRO . . . -176.32 -61.26 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 121' ' ' GLY . 54.0 Cg_endo -69.74 2.71 3.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -62.8 98.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.9 t -41.94 -60.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -89.13 -52.52 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -89.31 -59.86 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.58 72.23 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -136.43 132.61 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -113.63 41.85 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.34 -74.04 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.62 155.33 39.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.321 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 112.8 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.26 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -154.3 169.01 24.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -163.57 152.51 14.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.46 157.59 8.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.491 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 80.6 m95 -68.69 127.87 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.325 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.503 HD11 ' CE2' ' A' ' 108' ' ' TRP . 22.2 mt -148.91 150.35 32.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.507 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 87.2 m-70 -86.42 109.67 19.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -94.22 109.0 20.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -123.95 97.56 40.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.466 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.2 Cg_endo -69.74 141.26 44.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -73.58 -46.4 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -168.92 153.21 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.0 p -126.15 176.04 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.46 104.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -97.36 116.34 29.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.97 -31.63 1.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 37.7 mmtt -83.57 47.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 27' ' ' ARG . 19.9 mmm-85 37.77 42.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' A' ' 28' ' ' VAL . 7.9 p -117.8 45.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.4 -153.71 0.92 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.19 52.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.8 p -84.5 -178.12 6.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -122.67 42.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.102 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mtm-85 -42.15 157.98 0.21 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.9 Cg_endo -69.78 165.58 30.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.52 ' CH2' HG22 ' A' ' 85' ' ' VAL . 77.9 m95 -37.67 133.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -107.05 112.22 25.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.507 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 52.1 tt0 -86.16 107.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.7 ptm -147.51 132.68 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.44 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.4 t80 -44.62 116.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 93.7 t -105.24 118.39 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.03 137.93 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 tp -109.26 104.88 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -111.33 102.83 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -99.4 0.43 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -124.91 14.05 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 m -122.72 141.14 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.1 mt -105.39 111.42 24.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.48 102.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 4.2 mp -85.58 170.54 12.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 91.6 m-85 -160.87 129.56 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.82 -41.18 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.34 157.23 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 tttt -85.47 34.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -67.21 -62.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -136.82 124.48 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -82.96 -50.01 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.1 p -43.24 -41.84 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.6 p -59.2 155.45 34.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.148 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 53.4 Cg_endo -69.8 156.0 64.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.41 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 5.2 t -47.96 176.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' GLU . 77.8 mm-40 -94.57 92.92 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 42.13 24.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 61' ' ' GLU . 35.6 mm-40 -123.56 125.81 45.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -70.29 151.25 95.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.649 0.737 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 154.64 67.24 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 36.1 mt -116.75 107.89 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 98.2 p -69.92 124.1 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 m -109.17 26.91 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.09 -37.52 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.29 51.41 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 p -94.29 177.33 5.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 mt -137.21 108.75 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 74' ' ' ASP . 36.4 mt -89.55 143.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.47 ' N ' HG21 ' A' ' 73' ' ' ILE . 13.5 m-20 -154.45 125.04 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.7 mt -47.72 106.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.503 ' C ' ' O ' ' A' ' 75' ' ' ILE . 4.6 p -29.77 143.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.47 158.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 m -86.39 54.43 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.76 -53.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.4 t -43.36 142.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.94 -27.72 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.466 ' HD3' ' NE1' ' A' ' 35' ' ' TRP . 5.1 mpt_? -67.2 136.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -99.08 174.54 6.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 41.35 39.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.52 HG22 ' CH2' ' A' ' 35' ' ' TRP . 8.4 p -110.36 129.64 65.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -119.57 139.22 52.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -88.9 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.6 tt -128.02 130.65 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -116.96 118.68 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' SER . 31.9 p -107.67 141.78 38.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' THR . 3.8 t -38.53 -31.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' THR . 38.7 t70 -77.74 -66.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 77.2 m -145.62 177.57 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -115.73 148.19 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 17.0 p -160.47 163.59 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mt -106.27 166.71 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.404 ' CE2' ' SG ' ' A' ' 95' ' ' CYS . 55.4 m-85 -147.34 129.04 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -107.83 140.66 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.17 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -79.12 -38.4 36.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 102' ' ' ARG . 4.5 t70 -155.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' ASP . 37.4 ttp180 -34.28 -64.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.73 -49.32 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.66 -41.74 95.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.452 ' HE3' ' CD1' ' A' ' 106' ' ' LEU . 52.0 ttp -55.71 -62.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.452 ' CD1' ' HE3' ' A' ' 105' ' ' MET . 6.7 mp -47.52 -54.6 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.59 -36.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.503 ' CE2' HD11 ' A' ' 15' ' ' LEU . 37.3 m95 -76.24 -51.81 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.5 mt -49.52 -46.31 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 21.5 ttmm -68.22 -65.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 110' ' ' LYS . 62.4 m -37.11 -56.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.9 mt -61.61 -55.46 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -47.46 -37.27 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.05 -42.79 95.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -71.59 -39.88 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.4 p -81.95 43.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -141.85 143.44 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -110.82 113.14 25.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -145.3 117.42 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.7 m -145.66 129.36 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 155.41 -80.16 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 123' ' ' SER . 53.8 Cg_endo -69.72 0.45 5.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 0.0 112.399 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' PRO . 14.5 m -37.23 -59.63 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 p -82.38 174.93 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -129.39 141.34 51.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m 59.15 27.5 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.73 -72.7 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -130.65 86.17 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -41.22 -56.2 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.03 75.69 1.19 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -144.72 164.43 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 112.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.92 -45.78 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.1 tttp -157.05 165.89 34.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.94 161.39 25.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.31 160.43 9.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -68.76 126.71 30.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.415 HD11 ' CE2' ' A' ' 108' ' ' TRP . 55.4 mt -149.09 152.43 36.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.454 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 99.4 m-70 -87.46 107.76 18.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CE2' ' OE1' ' A' ' 63' ' ' GLU . 14.1 t80 -95.95 109.02 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -123.44 96.78 43.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.37 -37.49 32.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p -175.33 150.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -129.87 -44.89 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -81.95 44.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 39.66 37.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.42 69.84 1.27 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.33 150.97 19.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 ptt-85 -84.18 50.98 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.4 m -90.75 78.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.72 -67.83 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.02 61.48 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.3 m -143.42 142.03 31.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.9 mt -120.78 133.36 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -104.1 155.21 37.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.69 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.3 Cg_endo -69.76 169.96 17.7 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' PRO . 92.2 m95 -34.91 150.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.43 90.84 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 57.6 tt0 -64.36 109.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.445 ' HE3' ' CB ' ' A' ' 49' ' ' LEU . 20.4 ptm -152.05 131.39 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.527 ' CE2' ' HD3' ' A' ' 53' ' ' LYS . 4.3 t80 -43.28 120.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.8 t -110.11 120.08 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.81 145.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.2 tp -118.58 105.43 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 12.2 mtp-105 -116.66 119.21 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.02 -104.17 0.83 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -126.98 13.56 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 m -123.13 156.83 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.09 116.65 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.67 105.12 15.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 4.4 mp -88.05 169.43 11.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 56.8 m-85 -156.75 141.03 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 12.6 ptmt -61.64 -45.28 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.0 t0 -136.96 -178.41 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 18.7 tptp -90.08 39.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 3.6 mmp_? -71.07 -174.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ARG . 53.1 mm-40 -33.81 -45.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.501 ' CD ' ' CE2' ' A' ' 50' ' ' TYR . 22.8 tt0 65.11 28.6 12.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 m -63.43 -46.51 85.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.07 159.7 72.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.582 0.706 . . . . 0.0 111.169 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -14.78 36.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 p -175.03 158.23 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -98.02 -59.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -123.06 -36.43 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.595 ' OE1' ' CE2' ' A' ' 17' ' ' PHE . 8.6 mt-10 -79.93 173.29 12.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -116.62 153.27 49.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.526 0.679 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 141.55 45.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.1 mt -114.28 123.55 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -76.5 104.89 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -69.86 -22.36 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -38.55 111.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 72.69 40.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.96 139.4 31.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.67 103.98 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 74' ' ' ASP . 42.1 mt -92.27 143.62 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.471 ' N ' HG23 ' A' ' 73' ' ' ILE . 10.0 m-20 -162.77 126.75 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 76' ' ' SER . 85.9 mt -46.04 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 75' ' ' ILE . 1.5 t -35.37 153.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -48.25 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.424 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 11.8 t -112.33 51.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -123.24 -62.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.581 ' CG2' ' NE ' ' A' ' 82' ' ' ARG . 1.8 t -47.51 137.02 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -71.75 90.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.581 ' NE ' ' CG2' ' A' ' 80' ' ' THR . 0.0 OUTLIER -159.35 178.48 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -144.11 133.87 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 63.41 52.75 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.497 ' CG2' ' HD3' ' A' ' 82' ' ' ARG . 93.3 t -113.37 133.12 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.2 p90 -123.03 133.73 54.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -88.8 120.14 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.46 HD23 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -113.18 130.33 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 117.65 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.46 ' CG2' HD23 ' A' ' 88' ' ' LEU . 11.1 p -108.69 139.2 43.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 72.4 m -37.4 -33.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' THR . 44.4 t0 -73.57 -69.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.85 178.9 6.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -125.02 130.81 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.47 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 16.2 p -145.68 173.0 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 24.6 mt -115.63 170.14 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.409 ' CE2' ' SG ' ' A' ' 95' ' ' CYS . 75.6 m-85 -148.7 140.59 23.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -111.85 165.69 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.17 149.93 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.38 -58.45 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.07 146.21 43.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -44.67 -60.05 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -39.54 -50.81 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.03 -46.9 82.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 14.8 tmm? -56.41 -55.82 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 106' ' ' LEU . 4.2 mm? -51.84 -42.33 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.72 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.515 ' CE2' ' HE3' ' A' ' 11' ' ' LYS . 51.7 m95 -60.08 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.461 ' CD1' ' SD ' ' A' ' 105' ' ' MET . 61.0 mt -41.24 -52.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.3 m -42.48 -60.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.5 mt -56.38 -57.03 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -47.0 -39.71 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.07 -49.44 77.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -58.99 -39.85 83.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 p -72.12 -25.38 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -81.9 150.36 27.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 119' ' ' ASN . 5.0 mp -78.44 45.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 118' ' ' LEU . 0.7 OUTLIER 34.4 40.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.9 p -62.45 114.8 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.75 168.66 5.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.79 69.03 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.5 m -108.59 128.39 54.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -70.13 155.17 41.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 43' ' ' ARG . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.68 -47.85 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HB2' HG21 ' A' ' 111' ' ' THR . 30.9 tttp -149.29 158.98 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.45 148.81 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.24 155.03 8.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.552 ' O ' HD23 ' A' ' 15' ' ' LEU . 77.8 m95 -68.73 131.26 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD11 ' CE2' ' A' ' 108' ' ' TRP . 11.1 mt -152.57 158.2 42.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -91.3 111.3 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -97.1 110.81 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 62.7 ttt-85 -118.93 95.66 49.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.81 143.1 49.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.63 -39.91 26.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 82' ' ' ARG . 93.5 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -104.73 132.81 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -98.95 109.8 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.439 ' HE2' ' HB3' ' A' ' 49' ' ' LEU . 15.0 ptm -149.05 132.72 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' TYR . 23.0 t80 -47.86 115.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 38' ' ' MET . 90.1 t -104.11 124.91 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -121.33 137.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.1 tp -106.54 106.83 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.525 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 97.1 mtt180 -116.48 105.81 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.34 -104.53 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -126.86 13.87 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.6 m -124.41 144.62 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.1 110.95 23.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -99.82 113.15 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.439 ' HB3' ' HE2' ' A' ' 38' ' ' MET . 4.0 mp -94.09 158.41 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 51.5 m-85 -151.73 133.47 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -144.74 163.32 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 tttt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.743 0.226 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 mt -115.63 134.89 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -83.13 134.2 35.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.05 -1.83 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -42.34 -38.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.52 60.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.83 176.21 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mp -137.64 105.44 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.6 mt -92.08 144.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 76' ' ' SER . 15.9 m-20 -161.2 117.38 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' SER . 70.5 mt -37.5 95.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.678 ' HB3' HG13 ' A' ' 85' ' ' VAL . 47.8 t -34.84 149.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -45.74 153.66 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -94.97 44.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -113.75 -31.49 6.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' ARG . 9.0 t -70.78 126.68 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -42.7 -24.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 35' ' ' TRP . 38.5 mtt85 -72.66 122.33 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -100.67 151.42 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 51.0 m-20 66.18 39.93 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 76' ' ' SER . 8.5 p -110.7 130.63 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.2 p90 -109.88 140.4 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.742 ' HA ' HD23 ' A' ' 96' ' ' LEU . 43.5 ttp85 -98.35 125.7 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.645 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.8 tt -118.38 131.74 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.1 m -124.32 111.08 15.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.645 ' CG2' HD21 ' A' ' 88' ' ' LEU . 10.4 p -92.94 149.36 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.7 p -53.27 -23.12 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.4 -54.35 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 177.64 8.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -125.08 150.84 46.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -163.18 178.82 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 87' ' ' ARG . 9.4 mt -124.69 168.35 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.9 m-85 -153.04 121.97 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 59.7 tt0 -102.52 159.48 15.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.52 175.44 9.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -93.49 -64.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.9 138.74 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -42.28 -54.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.66 -42.17 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.49 -46.41 76.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 21.4 ttp -54.86 -57.24 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.0 mt -46.89 -45.95 20.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.42 -54.07 15.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.6 m95 -55.88 -62.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 86' ' ' PHE . 82.0 mt -39.38 -48.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' THR . 19.4 ttpt -63.78 -66.07 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 11' ' ' LYS . 88.6 m -37.19 -57.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 115' ' ' SER . 14.8 mt -60.18 -63.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.76 -30.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.15 -39.18 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' ILE . 3.6 m -68.2 -51.54 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.9 p -58.36 -51.73 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.5 t30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.807 0.337 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -49.73 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.564 ' HB2' HG21 ' A' ' 111' ' ' THR . 25.4 tttp -150.18 165.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -165.03 161.67 19.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 159.97 9.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.529 ' O ' HD23 ' A' ' 15' ' ' LEU . 89.0 m95 -70.02 111.07 5.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.958 HD11 ' CE2' ' A' ' 108' ' ' TRP . 38.5 mt -131.3 141.35 49.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 37' ' ' GLN . 51.7 m80 -79.93 107.83 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.17 110.09 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -125.01 97.91 37.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.78 141.6 45.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.583 HD23 ' HG2' ' A' ' 94' ' ' GLU . 4.1 mm? -73.59 -45.34 53.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.823 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 70.9 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -114.6 96.01 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 56.8 tt0 -69.29 113.07 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.7 ptm -150.18 142.78 24.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' TYR . 11.5 t80 -54.49 110.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 ' HG ' ' A' ' 49' ' ' LEU . 53.7 t -99.5 127.48 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.34 131.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.07 105.17 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -113.67 97.88 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.72 -99.29 1.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.4 p-80 -126.34 14.07 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 m -122.29 143.38 49.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -108.93 106.89 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CD1' ' HB3' ' A' ' 65' ' ' PRO . 69.7 m-85 -97.32 106.47 18.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.535 ' HG ' HG22 ' A' ' 40' ' ' VAL . 4.5 mp -90.85 155.53 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' TYR . 71.0 m-85 -148.39 138.45 22.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -74.49 -24.23 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -126.08 173.46 9.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.9 tttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HB3' ' CD1' ' A' ' 48' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.787 0.244 . . . . 0.0 112.289 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 mt -120.84 108.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -63.44 102.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' HIS . 13.4 m -82.98 31.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 9.3 t30 -69.67 107.64 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 68.07 54.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.802 ' SG ' HG22 ' A' ' 90' ' ' THR . 58.1 m -111.04 171.7 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -109.18 155.32 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.433 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 29.9 mt -143.8 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 73' ' ' ILE . 74.1 m-20 -146.59 141.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' SER . 99.5 mt -61.02 102.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' ILE . 49.4 p -34.23 131.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.37 162.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -85.17 28.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.98 -58.73 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -47.65 140.18 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -80.02 46.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 17.2 mtp85 -140.08 153.4 46.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 85' ' ' VAL . 39.2 mtmt -108.24 176.94 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER 37.42 50.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 83' ' ' LYS . 78.5 t -120.53 131.92 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HD11 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -123.41 141.58 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -101.0 128.45 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 90' ' ' THR . 1.3 tt -119.41 139.23 52.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -124.68 127.84 47.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.802 HG22 ' SG ' ' A' ' 71' ' ' CYS . 44.8 p -113.21 153.71 27.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 t -50.84 -21.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.51 -69.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 99.1 m -141.41 172.17 13.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.583 ' HG2' HD23 ' A' ' 20' ' ' LEU . 41.1 tt0 -111.32 155.63 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.427 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 31.8 p -162.87 167.85 22.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mt -115.61 170.26 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.671 ' O ' HG13 ' A' ' 85' ' ' VAL . 75.3 m-85 -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.614 ' HB2' HG22 ' A' ' 85' ' ' VAL . 36.5 tt0 -133.2 138.27 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.32 -175.59 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.65 -49.86 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.449 ' OD1' ' CG ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -124.48 149.92 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -42.07 -55.37 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.88 -51.83 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 101' ' ' ASP . 11.9 m-20 -54.26 -47.29 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 106' ' ' LEU . 12.8 tmm? -55.16 -70.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.457 ' N ' ' SD ' ' A' ' 105' ' ' MET . 50.9 mt -42.39 -46.63 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.35 32.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.958 ' CE2' HD11 ' A' ' 15' ' ' LEU . 48.3 m95 -60.45 -66.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 86' ' ' PHE . 77.1 mt -37.21 -49.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.564 HG21 ' HB2' ' A' ' 11' ' ' LYS . 80.9 m -39.28 -54.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.488 HD11 ' HE3' ' A' ' 108' ' ' TRP . 16.7 mt -61.61 -51.19 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.69 -34.14 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -65.61 -48.23 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m -69.11 -41.77 76.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -83.86 56.02 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.76 -43.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' A' ' 111' ' ' THR . 36.4 tttp -161.74 156.38 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.97 156.22 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.91 168.17 25.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.646 ' O ' HD23 ' A' ' 15' ' ' LEU . 82.6 m95 -78.63 122.03 25.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 98' ' ' GLN . 44.1 mt -144.28 143.69 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -79.8 110.18 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 16.7 t80 -98.74 110.17 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -121.06 98.34 47.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.74 143.9 52.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.71 2.274 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.34 -48.7 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.616 ' CH2' HD13 ' A' ' 96' ' ' LEU . 84.6 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -122.62 102.43 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.29 117.15 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.431 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.3 ptm -153.34 126.15 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 53' ' ' LYS . 15.1 t80 -44.59 107.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 38' ' ' MET . 73.5 t -94.12 129.43 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.1 t -120.7 138.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.1 tp -113.31 108.72 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -118.75 112.86 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.18 -100.94 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -126.66 12.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -119.05 161.18 20.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.95 116.87 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -106.01 113.58 27.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 49' ' ' LEU . 2.6 mp -97.33 151.66 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -141.97 135.34 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -49.88 -28.96 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 3.8 p30 -161.14 132.26 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 41.4 tttm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.729 0.22 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.635 ' CG2' HG21 ' A' ' 90' ' ' THR . 17.0 mt -95.86 110.77 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.7 111.4 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 69' ' ' ASN . 19.6 m -91.89 -7.13 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.1 t30 -35.57 -37.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.03 66.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.18 177.77 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -135.05 111.76 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.41 HG21 HG23 ' A' ' 109' ' ' ILE . 34.2 mt -96.67 142.93 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -159.68 122.81 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.4 mt -44.34 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.401 ' OG ' ' CD2' ' A' ' 96' ' ' LEU . 58.8 m -41.04 159.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.642 ' O ' HG22 ' A' ' 80' ' ' THR . 24.2 p90 -57.85 139.42 54.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 80' ' ' THR . 73.8 m -63.04 -44.32 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -40.52 -26.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 77' ' ' TYR . 6.7 t -59.33 115.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -38.64 -44.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 35' ' ' TRP . 12.3 mmp_? -52.7 173.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -132.88 151.84 51.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 45.2 53.67 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.731 HG13 ' O ' ' A' ' 97' ' ' PHE . 91.8 t -109.49 133.17 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -115.91 129.84 56.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.483 ' CG ' ' OE2' ' A' ' 94' ' ' GLU . 27.4 ttp180 -90.1 125.74 35.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.759 HD21 HG23 ' A' ' 90' ' ' THR . 0.8 OUTLIER -117.9 136.48 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 m -121.71 120.07 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.759 HG23 HD21 ' A' ' 88' ' ' LEU . 19.4 p -109.76 139.87 44.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -41.66 -25.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' THR . 18.6 t0 -81.68 -66.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 m -148.73 167.97 24.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.483 ' OE2' ' CG ' ' A' ' 87' ' ' ARG . 8.1 tm-20 -102.11 159.24 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.439 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 18.0 p -167.31 159.2 12.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.616 HD13 ' CH2' ' A' ' 35' ' ' TRP . 12.3 mt -105.95 160.19 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.731 ' O ' HG13 ' A' ' 85' ' ' VAL . 50.0 m-85 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.716 ' O ' HD22 ' A' ' 15' ' ' LEU . 57.2 tt0 -115.78 165.95 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 98' ' ' GLN . . . -139.31 147.51 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.22 -61.15 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 102' ' ' ARG . 63.6 m-20 -120.77 141.29 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.3 ttt85 -33.95 -55.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.84 -55.57 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.5 -51.9 33.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.459 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 51.8 ttp -49.41 -69.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.409 ' H ' ' CD2' ' A' ' 106' ' ' LEU . 4.1 mm? -38.94 -49.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.98 -53.33 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.71 ' CE2' HD11 ' A' ' 15' ' ' LEU . 40.7 m95 -57.88 -62.89 1.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.41 HG23 HG21 ' A' ' 73' ' ' ILE . 82.3 mt -39.59 -52.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.477 HG21 ' HB2' ' A' ' 11' ' ' LYS . 91.1 m -38.5 -58.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.522 HD11 ' HE3' ' A' ' 108' ' ' TRP . 15.1 mt -59.11 -57.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -48.19 -32.41 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.86 -36.74 75.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -75.09 -38.85 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.7 p -86.89 39.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.801 0.334 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -40.53 -49.99 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.0 tttp -150.86 158.77 44.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -159.05 155.65 27.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.6 159.38 9.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -67.58 118.69 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.777 HD11 ' CE2' ' A' ' 108' ' ' TRP . 89.3 mt -138.19 142.43 40.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -81.3 109.29 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.1 t80 -93.78 109.75 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -117.68 97.66 50.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.76 141.83 46.29 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 20' ' ' LEU . 9.4 mt -91.66 -55.38 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.601 ' HH2' HG21 ' A' ' 85' ' ' VAL . 63.3 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -112.38 114.0 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.76 105.63 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.425 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 ptm -147.11 125.33 12.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.4 t80 -40.76 114.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.473 HG22 HD23 ' A' ' 49' ' ' LEU . 70.0 t -103.18 121.79 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.72 139.76 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.2 tp -110.0 116.11 31.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -130.29 113.73 14.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -115.08 5.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.501 ' O ' HG22 ' A' ' 68' ' ' VAL . 13.5 m80 -118.27 13.81 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.3 m -126.49 151.03 48.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -107.72 122.65 47.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -109.94 111.92 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD23 HG22 ' A' ' 40' ' ' VAL . 5.0 mp -96.56 159.32 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' TYR . 46.0 m-85 -152.12 135.44 15.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.2 -38.22 85.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -124.12 175.04 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.8 tttt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.737 0.224 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.87 124.98 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 t -76.13 107.8 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 45' ' ' HIS . 11.3 m -88.25 -8.38 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -33.79 -43.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.96 64.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.6 177.51 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 tt -134.08 126.25 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 1.065 HG21 HG23 ' A' ' 109' ' ' ILE . 44.6 mt -108.7 145.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -162.44 122.91 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' SER . 79.8 mt -41.55 96.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.524 ' HB3' HG13 ' A' ' 85' ' ' VAL . 8.1 t -34.87 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.545 ' O ' HG22 ' A' ' 80' ' ' THR . 12.0 p90 -53.0 106.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.6 p -44.07 -23.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -43.44 27.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 77' ' ' TYR . 9.1 t -52.67 116.84 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' THR . 9.1 ptpp? -33.87 -38.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 2.3 mpt_? -62.28 134.58 56.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -105.55 161.02 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.33 45.68 26.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.601 HG21 ' HH2' ' A' ' 35' ' ' TRP . 7.5 p -117.38 132.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.575 ' HB3' HD11 ' A' ' 109' ' ' ILE . 1.6 p90 -113.42 144.57 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HA ' HD23 ' A' ' 96' ' ' LEU . 21.7 ttp180 -98.12 136.63 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.739 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.6 tt -132.93 126.7 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.608 HG23 ' HG2' ' A' ' 94' ' ' GLU . 10.6 m -114.84 121.94 44.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.739 ' CG2' HD21 ' A' ' 88' ' ' LEU . 18.9 p -116.51 139.4 50.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -41.73 -31.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.24 -66.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.1 m -154.65 154.47 33.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.608 ' HG2' HG23 ' A' ' 89' ' ' THR . 4.4 tm-20 -92.21 143.8 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.499 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 6.8 m -152.86 -179.32 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 87' ' ' ARG . 19.1 mt -129.13 156.66 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 85' ' ' VAL . 96.4 m-85 -141.25 122.52 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.443 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 57.6 tt0 -103.09 161.99 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.22 -176.29 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -96.52 -61.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.38 146.28 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -45.95 -49.36 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.05 -53.92 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -40.68 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -60.95 -49.09 78.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.27 -50.37 73.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.11 -43.17 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.777 ' CE2' HD11 ' A' ' 15' ' ' LEU . 36.2 m95 -65.63 -52.42 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 1.065 HG23 HG21 ' A' ' 73' ' ' ILE . 84.3 mt -49.67 -52.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -65.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.469 HG21 ' HB2' ' A' ' 11' ' ' LYS . 32.3 m -41.17 -59.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.93 -55.62 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.33 -44.38 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.24 -48.14 71.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -64.84 -38.43 90.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 97.0 p -84.4 45.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.52 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 24.8 tttp -153.72 163.73 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.87 157.39 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.86 163.68 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.645 ' O ' HD23 ' A' ' 15' ' ' LEU . 94.2 m95 -70.84 124.98 25.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.855 HD11 ' CE2' ' A' ' 108' ' ' TRP . 45.1 mt -144.94 149.38 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -84.75 104.39 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 13.5 t80 -94.09 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HD3' ' CD2' ' A' ' 35' ' ' TRP . 36.3 ttp180 -123.48 99.86 39.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.81 139.59 40.42 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.0 -45.51 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.699 ' CH2' HD13 ' A' ' 96' ' ' LEU . 88.1 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -114.58 117.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -89.13 106.28 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.7 ptm -143.8 139.51 29.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -49.54 109.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 38' ' ' MET . 97.7 t -99.34 127.39 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.55 138.21 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -111.31 105.93 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -112.29 105.13 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.17 -98.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.413 ' O ' HG22 ' A' ' 68' ' ' VAL . 8.3 m-70 -126.63 13.04 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -121.57 143.48 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -107.05 111.76 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 52.1 m-85 -103.11 113.07 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 49' ' ' LEU . 3.0 mp -97.81 156.21 16.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -143.87 134.86 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.53 -23.3 67.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -140.68 179.43 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 tttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.765 0.235 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.7 ' CG2' HG21 ' A' ' 90' ' ' THR . 20.2 mt -110.79 114.3 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 t -73.7 103.23 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 45' ' ' HIS . 5.6 m -69.92 -10.96 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 63.2 t30 -44.07 105.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.7 49.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.4 p -97.42 170.32 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 72' ' ' LEU . 5.8 tt -125.86 115.55 20.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.5 mt -104.77 147.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -163.06 124.97 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' SER . 64.4 mt -45.7 95.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.561 ' HB3' HG13 ' A' ' 85' ' ' VAL . 33.6 t -35.02 150.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.484 ' CD2' ' HB3' ' A' ' 79' ' ' GLU . 34.4 p90 -48.74 174.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.8 p -95.26 -28.95 14.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 77' ' ' TYR . 4.9 tp10 -37.84 -46.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.428 HG21 HG11 ' A' ' 85' ' ' VAL . 5.6 t -54.24 137.86 40.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.418 ' C ' ' HG3' ' A' ' 82' ' ' ARG . 31.7 tttt -77.4 46.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NH2' ' CD1' ' A' ' 35' ' ' TRP . 34.1 mtt-85 -144.25 129.6 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -99.22 145.22 27.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 71.53 40.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 76' ' ' SER . 9.5 p -113.45 128.63 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 0.9 OUTLIER -111.18 144.49 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.638 ' HA ' HD23 ' A' ' 96' ' ' LEU . 43.5 ttp180 -101.91 128.67 48.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.797 HD21 HG23 ' A' ' 90' ' ' THR . 1.9 tt -122.9 136.24 54.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 94' ' ' GLU . 25.1 m -125.27 115.56 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.797 HG23 HD21 ' A' ' 88' ' ' LEU . 28.0 p -103.55 153.6 20.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -51.57 -31.92 26.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.44 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -153.46 174.09 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.504 ' HG3' HG23 ' A' ' 89' ' ' THR . 1.1 mp0 -102.89 154.2 19.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.421 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 14.9 p -167.9 158.45 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 ' CH2' ' A' ' 35' ' ' TRP . 7.6 mt -109.15 165.95 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.4 m-85 -149.85 124.62 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.477 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 64.5 tt0 -115.05 153.6 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.21 173.73 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.94 -59.97 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -122.17 159.56 26.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -41.07 -64.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.7 -53.24 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -39.77 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.438 ' SD ' HD12 ' A' ' 106' ' ' LEU . 15.4 tmm? -63.24 -54.06 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.438 HD12 ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER -60.68 -52.3 65.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.35 -51.43 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.855 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.2 m95 -57.06 -61.71 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.5 mt -40.6 -53.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -53.37 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.0 m -40.78 -62.26 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.7 mt -53.99 -63.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.5 -39.56 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.52 -44.34 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -59.85 -37.84 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.5 p -79.6 -40.44 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 t30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.825 0.345 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.01 -48.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 35.1 tttp -152.99 165.85 34.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HB2' HG22 ' A' ' 41' ' ' VAL . 12.9 pt-20 -164.1 149.56 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.24 156.96 8.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.692 ' O ' HD23 ' A' ' 15' ' ' LEU . 82.9 m95 -67.85 131.26 45.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 14' ' ' TRP . 31.7 mt -151.85 153.82 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.554 ' CD2' HH22 ' A' ' 82' ' ' ARG . 70.8 m80 -88.75 108.43 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 7.1 t80 -94.97 115.26 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 23.6 ttp180 -126.02 97.06 35.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.79 142.75 48.66 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' CG ' ' A' ' 94' ' ' GLU . 83.0 mt -90.61 -30.37 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.528 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 51.5 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.779 0.323 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -134.42 106.81 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.47 99.59 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.498 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.8 ptm -142.86 136.88 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -46.3 118.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 38' ' ' MET . 70.7 t -111.03 119.6 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 12' ' ' GLU . 89.2 t -114.06 142.03 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.1 tp -108.4 105.46 15.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -114.17 105.44 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -103.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.99 12.27 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -123.18 139.4 54.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' A' ' 40' ' ' VAL . 11.3 mt -100.93 112.92 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -99.85 114.61 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' HB3' ' HE2' ' A' ' 38' ' ' MET . 5.0 mp -96.96 153.06 18.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 42.4 m-85 -146.93 119.38 8.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.23 -31.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.28 179.65 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tttm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.769 0.237 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.766 HG22 HG21 ' A' ' 90' ' ' THR . 9.0 mt -119.98 118.01 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 p -71.2 116.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 17.0 m -82.27 -19.72 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 2.3 t30 -38.91 109.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 71.9 47.11 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 68' ' ' VAL . 3.7 p -92.91 174.81 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.85 102.31 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.759 HG21 HG23 ' A' ' 109' ' ' ILE . 37.6 mt -93.63 142.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 20.1 m-20 -163.21 123.67 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.5 mt -45.64 103.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.607 ' OG ' HD22 ' A' ' 96' ' ' LEU . 2.5 m -39.99 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.425 ' O ' HG22 ' A' ' 80' ' ' THR . 9.8 p90 -55.9 129.23 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -58.39 -24.55 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -46.31 -37.07 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 80' ' ' THR . 6.0 t -65.31 114.12 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -43.82 -23.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.554 HH22 ' CD2' ' A' ' 16' ' ' HIS . 32.3 mtp85 -73.7 123.49 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -93.29 -178.68 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 38.23 48.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 97' ' ' PHE . 13.2 p -123.02 127.4 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.1 p90 -117.82 139.0 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.527 ' HA ' HD23 ' A' ' 96' ' ' LEU . 4.4 ttp-105 -91.32 129.7 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -123.76 133.65 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 m -123.15 126.51 47.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.766 HG21 HG22 ' A' ' 66' ' ' ILE . 2.6 p -109.94 140.07 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -42.06 -31.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.71 -59.07 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.35 177.77 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.52 ' CG ' HD12 ' A' ' 20' ' ' LEU . 51.5 tt0 -123.55 142.86 50.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -157.17 159.53 37.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD22 ' OG ' ' A' ' 76' ' ' SER . 88.1 mt -104.74 171.7 7.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.1 m-85 -152.49 146.63 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.407 ' OE1' ' NH2' ' A' ' 82' ' ' ARG . 56.8 tt0 -134.1 147.4 50.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.03 170.1 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -71.61 -45.02 63.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -140.96 153.5 45.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -41.74 -61.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -39.83 -59.67 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OE1' ' A' ' 100' ' ' GLU . 3.6 m-20 -50.55 -42.44 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.461 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 55.9 ttp -59.59 -64.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -37.79 -44.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.81 62.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.636 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.2 m95 -55.64 -59.51 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.759 HG23 HG21 ' A' ' 73' ' ' ILE . 85.9 mt -42.35 -48.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' THR . 16.8 ttpp -62.31 -68.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 88.4 m -38.13 -60.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.5 mt -53.29 -63.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -42.82 -42.43 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.03 -45.38 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -56.09 -52.02 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -50.57 62.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.82 0.343 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -35.35 -45.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HB2' HG21 ' A' ' 111' ' ' THR . 18.7 tttp -157.45 162.84 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.79 151.26 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.34 153.94 7.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 89.1 m95 -68.16 115.53 7.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 108' ' ' TRP . 35.5 mt -136.09 148.12 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -86.0 110.63 19.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.0 t80 -94.31 119.32 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 16.8 ttp180 -132.1 99.78 16.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.476 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.1 Cg_endo -69.73 151.65 69.28 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 20' ' ' LEU . 2.9 mm? -86.56 -64.01 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.427 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 68.6 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' NZ ' ' HD2' ' A' ' 19' ' ' PRO . 10.2 mttp -125.94 115.3 19.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -84.85 102.76 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.1 ptm -145.0 124.48 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' TYR . 8.9 t80 -42.59 115.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.597 HG22 HD23 ' A' ' 49' ' ' LEU . 88.8 t -103.02 118.31 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.98 138.37 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 tp -105.33 110.69 23.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -120.48 100.1 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -103.17 1.8 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.422 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.568 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -126.48 10.56 7.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.2 m -121.09 145.37 47.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.521 HD22 ' CG1' ' A' ' 40' ' ' VAL . 10.5 mt -106.19 110.81 23.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -98.63 110.74 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.597 HD23 HG22 ' A' ' 40' ' ' VAL . 4.9 mp -96.87 154.4 17.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -149.09 143.08 25.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -73.51 -39.16 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.91 107.33 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.3 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.792 0.247 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.56 ' CG2' HG21 ' A' ' 90' ' ' THR . 16.4 mt -111.7 131.33 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.1 p -85.18 109.88 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 45' ' ' HIS . 30.0 m -77.29 -23.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' VAL . 41.9 t30 -34.54 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 66.74 45.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -91.67 170.37 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.1 mt -125.99 102.66 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 39.6 mt -92.36 145.21 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 45.6 m-20 -163.29 125.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.4 mt -47.2 105.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ILE . 23.4 p -33.84 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.834 ' HE1' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -51.27 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.6 t -79.88 -34.55 39.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -40.55 -45.51 2.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.834 HG23 ' HE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -47.47 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -49.33 -47.52 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -60.65 163.51 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -108.83 173.19 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.43 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 47.68 51.18 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.438 ' CG1' HD22 ' A' ' 96' ' ' LEU . 87.8 t -117.16 124.45 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.541 ' CD1' ' HG2' ' A' ' 105' ' ' MET . 1.2 p90 -117.16 132.42 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -88.63 123.57 33.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.613 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.1 tt -120.37 128.21 53.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -113.28 123.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.613 ' CG2' HD21 ' A' ' 88' ' ' LEU . 36.6 p -108.76 148.0 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -43.63 -27.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.62 -72.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -142.78 177.67 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.57 154.8 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.96 163.49 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.438 HD22 ' CG1' ' A' ' 85' ' ' VAL . 14.0 mt -107.0 171.69 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 75.2 m-85 -152.62 134.56 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.48 135.69 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.8 173.44 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.2 -41.36 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -139.21 152.71 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -44.9 -65.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -40.86 -40.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.11 -48.24 76.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.541 ' HG2' ' CD1' ' A' ' 86' ' ' PHE . 15.6 tmm? -54.09 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.414 HD22 ' CE ' ' A' ' 105' ' ' MET . 4.6 mm? -53.42 -44.4 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 108' ' ' TRP . . . -51.66 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.817 ' CE2' HD11 ' A' ' 15' ' ' LEU . 49.0 m95 -36.51 -57.2 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.463 HD11 ' SD ' ' A' ' 105' ' ' MET . 88.4 mt -41.22 -58.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 22.8 ttmt -54.21 -69.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 11' ' ' LYS . 78.3 m -37.66 -62.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.463 HD11 ' HE3' ' A' ' 108' ' ' TRP . 16.6 mt -53.11 -57.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -47.0 -39.93 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.71 -48.09 80.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.2 m -63.18 -48.71 77.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 m -87.51 48.44 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -35.57 -45.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.672 ' HB2' HG21 ' A' ' 111' ' ' THR . 31.7 tttp -164.87 165.05 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' CD ' ' C ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -165.18 164.3 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.38 159.7 9.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.469 ' O ' HD23 ' A' ' 15' ' ' LEU . 93.6 m95 -67.82 110.11 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.88 HD11 ' CE2' ' A' ' 108' ' ' TRP . 33.3 mt -134.03 143.34 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -76.54 109.52 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.502 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.9 t80 -93.99 109.5 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -127.68 96.69 32.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.0 Cg_endo -69.76 141.35 45.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.489 HD12 ' CG ' ' A' ' 94' ' ' GLU . 46.2 mt -77.05 -47.35 20.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.0 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -121.35 106.15 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -76.3 111.89 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.1 ptm -150.11 125.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.2 t80 -37.78 117.03 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG22 HD23 ' A' ' 49' ' ' LEU . 62.4 t -107.56 118.39 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.6 148.35 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 10' ' ' ALA . 61.0 tp -116.73 110.43 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -122.29 105.34 10.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.28 -106.92 2.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.37 12.66 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 m -124.88 138.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.616 HD12 HG11 ' A' ' 68' ' ' VAL . 10.9 mt -100.86 115.16 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -102.57 116.17 32.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.648 HD23 HG22 ' A' ' 40' ' ' VAL . 4.2 mp -98.9 159.14 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 40.3 m-85 -152.99 142.97 22.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -71.58 -38.92 70.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -117.35 162.53 17.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.722 0.218 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.536 ' CG2' HG21 ' A' ' 90' ' ' THR . 11.8 mt -109.92 115.74 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -63.53 103.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.616 HG11 HD12 ' A' ' 47' ' ' LEU . 5.2 m -92.89 23.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.28 -49.23 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.45 65.83 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -96.55 150.6 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.49 105.66 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.497 HG21 HG23 ' A' ' 109' ' ' ILE . 37.4 mt -89.41 143.04 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -161.57 117.82 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 59.8 mt -38.25 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' ILE . 53.6 p -36.29 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.46 163.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -105.73 48.73 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.7 -57.63 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -44.84 141.72 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HE2' ' C ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.06 50.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.409 ' NH2' ' OE1' ' A' ' 98' ' ' GLN . 19.7 mtp85 -138.89 138.48 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -109.54 153.6 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.61 41.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.507 HG22 ' HG3' ' A' ' 98' ' ' GLN . 60.4 t -120.96 131.03 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.5 p90 -124.34 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.66 ' HA ' HD23 ' A' ' 96' ' ' LEU . 41.4 ttp180 -92.77 133.51 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.653 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.0 tt -126.22 137.09 53.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -125.23 122.98 38.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.653 ' CG2' HD21 ' A' ' 88' ' ' LEU . 19.1 p -112.49 144.58 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.7 t -37.7 -35.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.36 -69.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.7 m -147.26 177.06 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.489 ' CG ' HD12 ' A' ' 20' ' ' LEU . 17.2 tt0 -106.87 153.86 21.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 17' ' ' PHE . 45.3 t -163.96 162.3 23.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 87' ' ' ARG . 38.7 mt -111.97 169.81 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -151.26 136.04 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.507 ' HG3' HG22 ' A' ' 85' ' ' VAL . 60.8 tt0 -117.1 155.99 28.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.8 -178.31 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.42 -43.5 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -136.72 151.32 49.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.454 ' O ' HD23 ' A' ' 106' ' ' LEU . 26.0 ttt85 -41.75 -58.41 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.81 -52.34 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -57.19 -42.8 81.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -61.47 -50.65 71.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.1 mm? -56.44 -43.32 79.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.25 -69.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.88 ' CE2' HD11 ' A' ' 15' ' ' LEU . 26.3 m95 -38.3 -56.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.497 HG23 HG21 ' A' ' 73' ' ' ILE . 73.0 mt -42.55 -56.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -56.68 -59.93 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.672 HG21 ' HB2' ' A' ' 11' ' ' LYS . 94.9 m -43.15 -59.23 2.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.425 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.9 mt -57.68 -55.04 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -50.12 -34.42 22.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -72.9 -49.34 30.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -58.39 -37.69 75.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.8 p -73.94 -49.63 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.819 0.342 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.4 -45.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 30.5 tttp -160.0 152.5 21.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -150.76 150.82 31.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.07 157.02 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.531 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.777 ' O ' HD23 ' A' ' 15' ' ' LEU . 91.0 m95 -67.65 132.45 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.932 HD11 ' CE2' ' A' ' 108' ' ' TRP . 30.8 mt -151.67 144.23 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -79.12 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.4 t80 -94.22 111.69 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 18.2 ttp180 -126.42 96.3 36.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.552 HD13 ' CD ' ' A' ' 94' ' ' GLU . 8.1 mp -82.67 -71.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.842 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.501 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 93.3 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -106.83 94.48 5.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -73.37 107.24 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.512 ' HG3' HD23 ' A' ' 49' ' ' LEU . 13.3 ptm -147.74 137.65 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' TYR . 10.8 t80 -48.68 112.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.537 HG22 ' CD2' ' A' ' 49' ' ' LEU . 75.4 t -100.79 123.97 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.34 135.75 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -106.39 114.15 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -125.98 101.55 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.58 -103.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -125.02 9.31 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 m -119.44 145.11 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -108.13 107.55 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -99.07 112.09 24.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.537 ' CD2' HG22 ' A' ' 40' ' ' VAL . 5.0 mp -93.0 166.68 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 49' ' ' LEU . 50.1 m-85 -151.33 139.26 19.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -65.07 -40.14 94.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.07 176.16 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.736 0.223 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.882 HG22 HG21 ' A' ' 90' ' ' THR . 57.4 mt -117.6 98.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 t -63.48 108.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ASN . 22.2 m -81.12 -22.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -36.85 109.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 72.16 48.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.441 ' C ' HD12 ' A' ' 72' ' ' LEU . 29.7 p -98.81 174.19 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD12 ' C ' ' A' ' 71' ' ' CYS . 7.5 mp -126.42 102.06 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.6 mt -93.08 139.75 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 9.6 m-20 -158.81 117.64 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 83.4 mt -39.32 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' ASP . 8.4 t -36.57 154.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.437 ' O ' HG22 ' A' ' 80' ' ' THR . 14.3 p90 -48.7 146.39 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 79' ' ' GLU . 80.8 p -80.2 -29.4 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.7 mm-40 -34.61 -42.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 77' ' ' TYR . 10.0 t -61.65 138.54 58.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -56.21 -43.04 78.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -55.03 144.23 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.69 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.7 ptpt -110.42 -179.89 3.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 36.9 50.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 83' ' ' LYS . 54.6 t -113.85 118.87 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.1 p90 -107.45 134.19 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.645 ' HA ' HD23 ' A' ' 96' ' ' LEU . 40.9 ttp180 -91.95 119.41 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.487 HD21 HG23 ' A' ' 90' ' ' THR . 2.1 tt -114.76 132.25 56.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 m -119.87 125.73 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.882 HG21 HG22 ' A' ' 66' ' ' ILE . 41.5 p -109.98 145.51 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.7 p -45.96 -22.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.18 -63.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.1 m -146.16 174.98 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.552 ' CD ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -111.44 151.65 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.501 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 8.5 p -163.68 170.58 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 87' ' ' ARG . 26.9 mt -119.45 169.47 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.3 m-85 -150.74 141.31 22.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.654 ' HB2' HG22 ' A' ' 85' ' ' VAL . 60.2 tt0 -129.43 138.83 51.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.61 172.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 100' ' ' GLU . 1.1 mp0 -77.63 -49.18 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' ARG . 6.0 m-20 -134.91 147.6 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 101' ' ' ASP . 34.9 ttt180 -35.12 -61.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.35 -44.99 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.47 ' SD ' HD12 ' A' ' 109' ' ' ILE . 16.4 tmm? -50.48 -56.85 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.416 HD12 ' SD ' ' A' ' 105' ' ' MET . 4.8 mp -55.56 -44.53 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.37 -44.3 23.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.932 ' CE2' HD11 ' A' ' 15' ' ' LEU . 34.8 m95 -67.78 -57.73 5.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.47 HD12 ' SD ' ' A' ' 105' ' ' MET . 78.4 mt -45.3 -48.31 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -62.74 -67.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 11' ' ' LYS . 99.7 m -42.56 -55.74 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.7 mt -57.31 -53.59 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -52.09 -36.62 51.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.17 -49.28 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 m -58.3 -53.89 53.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.7 p -57.53 -46.93 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.42 -54.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.9 tttp -142.89 163.29 33.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -164.73 159.46 18.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.07 164.44 12.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.52 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 80.0 m95 -74.7 123.88 25.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' A' ' 108' ' ' TRP . 73.5 mt -145.63 146.38 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -80.01 109.34 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CD1' ' SG ' ' A' ' 95' ' ' CYS . 15.2 t80 -94.17 110.9 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 23.5 ttt180 -125.15 99.45 34.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.74 142.75 48.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 2.244 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 94' ' ' GLU . 72.2 mt -88.94 -51.72 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.585 ' HH2' HG21 ' A' ' 85' ' ' VAL . 56.0 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -121.69 106.92 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -73.1 113.92 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.441 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.0 ptm -154.0 126.83 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 13.3 t80 -41.83 115.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 38' ' ' MET . 81.0 t -104.45 123.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.6 t -118.76 141.2 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.05 108.34 19.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 13.3 mtp-105 -122.52 105.33 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.62 -110.43 3.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -122.26 11.78 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.76 145.19 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -102.92 107.36 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -92.41 115.07 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 38' ' ' MET . 5.2 mp -97.18 163.74 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -154.29 139.44 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -22.31 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.94 134.44 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 8.0 tmtt? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.201 0 CA-C-O 120.812 0.255 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.3 mt -119.85 123.98 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -77.43 104.73 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.8 m -71.26 -19.97 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.3 t-20 -39.06 112.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 71.92 47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.559 ' C ' HD12 ' A' ' 72' ' ' LEU . 7.6 p -98.23 170.3 8.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 71' ' ' CYS . 7.6 mp -130.72 102.49 6.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.534 HG21 HG23 ' A' ' 109' ' ' ILE . 38.6 mt -92.59 147.66 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -162.74 126.31 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' SER . 58.9 mt -45.8 103.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.71 ' OG ' HD22 ' A' ' 96' ' ' LEU . 24.1 m -35.24 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -45.9 163.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -101.64 55.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -134.25 -33.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 82' ' ' ARG . 14.1 t -56.17 157.96 4.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 25.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.596 ' H ' HG23 ' A' ' 80' ' ' THR . 26.8 mtp85 -129.71 127.04 39.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -98.23 155.53 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.2 27.08 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 76' ' ' SER . 9.1 p -101.68 127.26 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -111.68 138.68 47.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.686 ' HA ' HD23 ' A' ' 96' ' ' LEU . 33.6 ttp180 -93.56 121.93 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.659 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.0 OUTLIER -115.1 136.48 53.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.788 HG23 ' HG3' ' A' ' 94' ' ' GLU . 8.1 m -120.65 128.37 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.659 ' CG2' HD21 ' A' ' 88' ' ' LEU . 16.9 p -119.89 155.8 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -55.57 -18.58 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -85.69 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.4 m -152.86 169.37 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.788 ' HG3' HG23 ' A' ' 89' ' ' THR . 12.1 mt-10 -95.45 155.27 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.588 ' SG ' ' CD1' ' A' ' 17' ' ' PHE . 48.1 t -167.65 162.27 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.71 HD22 ' OG ' ' A' ' 76' ' ' SER . 43.7 mt -117.34 168.61 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -151.51 122.48 7.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -95.93 141.95 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -116.02 150.59 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.59 -65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -121.94 155.45 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 106' ' ' LEU . 36.8 ttt85 -42.64 -64.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.3 m-20 -34.22 -61.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -45.94 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.511 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 14.0 tmm? -52.86 -59.86 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.478 ' CD2' ' HG2' ' A' ' 102' ' ' ARG . 3.8 mm? -51.94 -51.18 58.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.745 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.8 m95 -46.89 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 73' ' ' ILE . 61.1 mt -42.6 -51.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -56.13 -64.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 11' ' ' LYS . 59.1 m -43.6 -61.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.6 mt -54.75 -63.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -40.47 -42.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -65.45 -48.58 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.7 m -58.76 -37.52 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.9 p -77.77 -12.69 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.76 0.315 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -35.87 -46.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.67 ' HB2' HG21 ' A' ' 111' ' ' THR . 32.3 tttp -157.64 165.12 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -162.22 148.04 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.44 157.66 9.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 84.1 m95 -67.71 120.71 14.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' CE2' ' A' ' 108' ' ' TRP . 13.9 mt -141.86 150.37 41.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -86.52 104.46 16.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -94.21 111.48 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -122.18 97.25 45.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 136.56 33.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.718 HD12 ' CD ' ' A' ' 94' ' ' GLU . 88.2 mt -84.02 -50.15 8.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.827 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.734 ' CH2' HD13 ' A' ' 96' ' ' LEU . 59.0 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.358 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -112.96 114.99 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.89 108.28 15.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.2 ptm -150.02 138.39 20.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' TYR . 31.8 t80 -54.73 112.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.566 ' HB ' HD12 ' A' ' 15' ' ' LEU . 71.0 t -97.2 122.39 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG22 ' CE2' ' A' ' 39' ' ' TYR . 48.9 t -119.54 128.96 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 10' ' ' ALA . 20.9 tp -98.86 109.98 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -119.64 117.75 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.53 -106.38 1.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -123.97 14.0 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m -126.39 146.14 50.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.79 114.91 29.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -105.57 104.83 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 49' ' ' LEU . 2.4 mp -90.84 168.02 12.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 39' ' ' TYR . 93.8 m-85 -157.61 133.78 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -51.45 -45.97 62.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.88 154.98 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 tttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.746 0.227 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.795 HG22 HG21 ' A' ' 90' ' ' THR . 50.8 mt -117.05 98.42 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -53.26 120.21 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ASN . 15.3 m -104.03 -10.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -34.59 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.71 62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.507 ' HB3' HG22 ' A' ' 90' ' ' THR . 20.5 p -111.86 175.5 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.09 110.93 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.504 HD11 ' HB ' ' A' ' 112' ' ' ILE . 42.4 mt -87.52 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -163.23 122.38 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 76' ' ' SER . 63.2 mt -41.11 102.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.6 ' OG ' HG13 ' A' ' 85' ' ' VAL . 1.5 p -31.4 144.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.82 126.15 11.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -45.7 -24.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -39.96 -53.86 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.2 t -57.93 151.91 17.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -84.62 -36.84 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.43 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 59.2 mtt-85 -44.57 126.69 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -92.89 150.31 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 62.45 45.2 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.6 HG13 ' OG ' ' A' ' 76' ' ' SER . 7.4 p -113.8 136.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.3 p90 -123.78 132.92 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.632 ' HA ' HD23 ' A' ' 96' ' ' LEU . 61.0 ttp85 -90.61 120.95 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.655 HD21 HG23 ' A' ' 90' ' ' THR . 1.5 tt -111.89 134.82 53.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 60.4 m -125.86 120.58 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.795 HG21 HG22 ' A' ' 66' ' ' ILE . 34.9 p -107.75 140.91 40.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 t -43.08 -30.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -55.77 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -154.09 176.8 11.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.718 ' CD ' HD12 ' A' ' 20' ' ' LEU . 1.1 tm-20 -113.71 151.57 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.498 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 29.8 p -167.7 155.65 8.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.734 HD13 ' CH2' ' A' ' 35' ' ' TRP . 21.0 mt -102.0 170.21 8.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.558 ' HE2' HD22 ' A' ' 88' ' ' LEU . 58.4 m-85 -154.08 125.38 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.43 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 41.4 tt0 -114.05 140.7 48.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -108.31 -177.79 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -98.24 -62.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.0 139.32 38.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -42.78 -57.25 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.28 -46.5 35.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -58.78 -44.7 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 13.5 tmm? -56.79 -55.03 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 106' ' ' LEU . 3.5 mm? -52.62 -39.9 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -55.74 31.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.718 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.8 m95 -49.2 -51.11 34.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.451 ' HA ' HD13 ' A' ' 73' ' ' ILE . 96.6 mt -48.4 -54.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -60.16 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.67 HG21 ' HB2' ' A' ' 11' ' ' LYS . 85.2 m -40.35 -63.13 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.504 ' HB ' HD11 ' A' ' 73' ' ' ILE . 15.7 mt -56.76 -59.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -42.49 -37.39 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.66 -50.28 45.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.7 p -54.56 -36.31 64.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.5 p -79.29 -30.7 43.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.833 0.349 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.18 81.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.546 ' HB2' HG21 ' A' ' 111' ' ' THR . 35.2 tttp -150.68 165.23 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -160.53 144.79 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.72 157.91 12.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -75.57 122.93 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.839 HD11 ' CE2' ' A' ' 108' ' ' TRP . 22.1 mt -143.54 149.33 37.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -78.69 110.87 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -94.19 116.24 28.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 36.8 ttp85 -134.32 96.15 15.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.75 141.63 45.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.63 -50.91 18.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 82.9 m95 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -107.29 102.52 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -75.94 108.56 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.2 ptm -147.1 136.74 22.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' TYR . 19.5 t80 -48.36 111.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 47' ' ' LEU . 81.4 t -100.27 122.5 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -112.54 137.81 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.8 112.33 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HD3' ' CD2' ' A' ' 48' ' ' TYR . 65.6 mtp180 -121.15 99.72 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.09 -97.18 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -124.83 11.71 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.8 m -121.56 144.58 48.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.452 HD22 ' CG1' ' A' ' 40' ' ' VAL . 9.6 mt -115.28 108.12 16.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 43' ' ' ARG . 83.3 m-85 -95.51 114.72 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 49' ' ' LEU . 3.7 mp -95.55 157.99 15.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' TYR . 81.5 m-85 -154.35 134.55 13.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -60.66 -41.83 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -133.58 129.3 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.458 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 64.6 tttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.747 0.228 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.79 HG22 HG21 ' A' ' 90' ' ' THR . 45.1 mt -115.09 102.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 p -54.71 107.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' ASN . 23.2 m -78.93 -21.56 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 6.3 t30 -37.66 115.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 70.92 44.3 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.3 p -95.81 -178.77 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mt -142.85 110.52 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.479 HG21 HG23 ' A' ' 109' ' ' ILE . 33.6 mt -97.6 144.4 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 17.5 m-20 -163.12 118.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.9 mt -42.24 99.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' ILE . 27.0 t -35.69 149.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 27.7 p90 -36.48 142.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.7 m -87.89 51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -45.09 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.409 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 5.2 t -52.93 121.19 6.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -38.46 -38.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 133.63 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 2.8 mppt? -100.24 171.95 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER 46.03 50.25 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.38 121.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -115.93 130.55 56.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -90.76 124.78 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.676 HD21 HG23 ' A' ' 90' ' ' THR . 0.9 OUTLIER -118.69 133.44 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.0 m -118.62 123.84 45.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.79 HG21 HG22 ' A' ' 66' ' ' ILE . 57.5 p -107.93 140.49 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.6 t -40.28 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' THR . 34.1 t0 -82.51 -61.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.3 m -149.93 176.62 10.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -112.55 144.69 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.445 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 27.1 m -151.59 178.94 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.403 ' CD1' HH21 ' A' ' 18' ' ' ARG . 6.1 mt -124.9 165.81 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 65.8 m-85 -151.14 147.87 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.33 146.11 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.74 172.68 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.25 -42.92 35.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -142.37 152.56 42.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -39.23 -62.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.55 -54.2 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -59.22 -42.5 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.438 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 16.2 tmm? -54.81 -55.38 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.42 ' CD1' ' CE ' ' A' ' 105' ' ' MET . 3.3 mp -57.43 -49.47 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.26 -42.09 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.839 ' CE2' HD11 ' A' ' 15' ' ' LEU . 41.7 m95 -68.05 -58.26 4.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.479 HG23 HG21 ' A' ' 73' ' ' ILE . 95.3 mt -45.1 -48.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -59.52 -67.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.546 HG21 ' HB2' ' A' ' 11' ' ' LYS . 89.6 m -41.42 -61.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.527 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.2 mt -52.99 -64.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -41.13 -41.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.88 -46.96 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m -57.93 -42.89 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.39 43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.834 0.35 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.21 -49.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.522 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -158.65 154.5 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.62 153.57 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.6 148.49 5.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.479 ' O ' HD23 ' A' ' 15' ' ' LEU . 81.3 m95 -67.62 120.93 14.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 108' ' ' TRP . 14.5 mt -139.86 148.32 41.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.24 109.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -94.26 107.95 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.527 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 55.1 ttt180 -118.67 98.88 51.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 141.59 45.68 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.526 HD12 ' CG ' ' A' ' 94' ' ' GLU . 51.5 mt -84.42 -49.57 8.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.527 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 69.6 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -131.63 93.38 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -61.71 111.83 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.53 ' HE2' ' HB3' ' A' ' 49' ' ' LEU . 19.4 ptm -153.48 132.25 12.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.5 t80 -46.05 116.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.519 ' CG1' HD22 ' A' ' 47' ' ' LEU . 53.7 t -107.03 121.1 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.51 135.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 tp -103.72 116.95 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -131.54 100.73 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.25 -107.22 2.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 68' ' ' VAL . 21.0 m80 -127.0 11.86 7.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -127.67 142.5 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD22 ' CG1' ' A' ' 40' ' ' VAL . 12.4 mt -100.73 119.8 39.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -103.18 102.85 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.53 ' HB3' ' HE2' ' A' ' 38' ' ' MET . 4.6 mp -85.73 153.85 22.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -72.17 -25.91 61.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -146.42 130.26 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 36.4 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.745 0.227 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.683 ' CG2' HG21 ' A' ' 90' ' ' THR . 12.1 mt -112.2 124.87 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 p -75.21 99.18 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' HIS . 13.6 m -71.97 -17.89 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.9 t30 -41.23 111.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.09 45.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -93.27 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -129.75 103.13 6.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 109' ' ' ILE . 40.8 mt -93.22 143.88 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -162.31 123.63 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' SER . 62.6 mt -42.22 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.491 ' OG ' HG12 ' A' ' 85' ' ' VAL . 3.4 m -36.84 155.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CD1' ' OG1' ' A' ' 80' ' ' THR . 9.1 p90 -50.06 179.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -91.39 -32.53 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.64 53.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.498 HG22 ' HD2' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -116.9 -4.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 tttt 50.17 26.39 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HB2' HG21 ' A' ' 85' ' ' VAL . 51.5 mtt85 -138.86 138.04 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -98.3 153.09 18.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 0.9 OUTLIER 60.38 38.62 19.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' A' ' 82' ' ' ARG . 71.2 t -107.17 137.01 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -129.15 139.52 51.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -91.41 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 90' ' ' THR . 2.5 tt -130.82 135.55 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.6 m -127.52 120.82 29.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.683 HG21 ' CG2' ' A' ' 66' ' ' ILE . 21.7 p -104.27 163.17 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 m -55.79 -33.54 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.93 -61.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 71.6 m -153.5 176.98 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.526 ' CG ' HD12 ' A' ' 20' ' ' LEU . 60.3 tt0 -111.18 160.39 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.7 p -163.24 175.79 10.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.5 mt -119.34 164.34 15.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.8 m-85 -150.53 140.79 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.565 ' HB2' HG22 ' A' ' 85' ' ' VAL . 36.8 tt0 -128.76 138.37 52.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.44 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -85.05 -36.09 21.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -141.04 153.25 45.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.577 ' O ' HD23 ' A' ' 106' ' ' LEU . 25.6 ttm180 -49.05 -49.26 42.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -54.86 -43.51 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.76 -43.72 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 10.1 ttp -58.62 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.3 mm? -52.26 -41.58 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.65 88.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.752 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.1 m95 -65.16 -54.22 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 73' ' ' ILE . 89.8 mt -48.07 -52.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.58 -61.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 11' ' ' LYS . 86.4 m -40.59 -57.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.27 -55.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -49.76 -32.34 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.91 -49.0 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -59.72 -46.53 88.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.7 p -64.55 -50.67 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.329 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.56 -45.03 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -161.9 159.21 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' HB2' HG22 ' A' ' 41' ' ' VAL . 20.8 pt-20 -156.43 156.89 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.49 165.42 15.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -76.49 124.01 26.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 108' ' ' TRP . 11.8 mt -142.21 153.53 44.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.434 ' CE1' ' CD ' ' A' ' 37' ' ' GLN . 35.5 m80 -88.36 108.99 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -95.26 115.38 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.543 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 26.6 ttt180 -124.43 100.24 35.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.59 0.71 . . . . 0.0 110.808 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 53.5 Cg_endo -69.79 138.37 37.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 94' ' ' GLU . 9.1 mp -76.65 -54.7 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.552 ' NE1' ' NH2' ' A' ' 82' ' ' ARG . 49.4 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -124.45 91.91 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.434 ' CD ' ' CE1' ' A' ' 16' ' ' HIS . 27.6 tt0 -64.46 111.68 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.503 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.6 ptm -156.79 132.92 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CZ ' ' HD3' ' A' ' 53' ' ' LYS . 10.7 t80 -46.37 112.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.52 ' HB ' HD12 ' A' ' 15' ' ' LEU . 95.5 t -103.47 127.15 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.461 HG22 ' HB2' ' A' ' 12' ' ' GLU . 95.3 t -120.82 136.46 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -104.75 108.02 19.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -120.55 104.12 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.78 -105.66 1.85 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -125.99 14.08 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -124.03 138.91 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.91 106.36 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 46.2 m-85 -93.02 113.1 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -94.0 151.12 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 56.1 m-85 -148.24 138.68 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.46 -36.12 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -119.68 154.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 14.0 tptp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.458 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.745 0.227 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.68 HG22 HG21 ' A' ' 90' ' ' THR . 50.7 mt -110.16 106.37 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 m -62.73 110.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' ASN . 30.6 m -81.22 -23.31 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.526 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 12.9 t-20 -37.36 115.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.04 42.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.5 p -95.58 170.59 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.2 mt -130.03 106.8 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.467 HD12 ' HG3' ' A' ' 113' ' ' GLN . 41.1 mt -93.3 149.71 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -161.4 130.44 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.0 mt -52.8 102.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.504 ' HB2' HG13 ' A' ' 85' ' ' VAL . 24.4 m -31.91 138.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -37.13 131.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -75.86 46.68 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -119.6 -43.13 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' ARG . 4.9 t -46.52 168.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' ARG . 11.8 ptmt -78.11 -47.95 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.552 ' NH2' ' NE1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -66.0 148.08 52.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -110.7 -174.56 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.452 ' C ' ' SD ' ' A' ' 105' ' ' MET . 2.9 m-80 44.18 25.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.539 HG21 ' HH2' ' A' ' 35' ' ' TRP . 5.0 p -98.06 124.78 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 1.4 p90 -111.49 155.7 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -109.38 153.23 24.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.722 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.4 tt -144.11 141.13 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.477 HG23 ' HG3' ' A' ' 94' ' ' GLU . 95.3 m -126.49 123.82 38.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.722 ' CG2' HD21 ' A' ' 88' ' ' LEU . 29.0 p -115.38 145.49 42.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -45.38 -22.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.83 -69.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 23.5 m -147.65 175.58 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.48 ' HB3' HD13 ' A' ' 20' ' ' LEU . 5.4 mp0 -105.25 155.44 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 31.5 p -168.07 176.02 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 75.7 mt -123.18 168.49 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.441 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 75.4 m-85 -151.08 127.93 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.493 ' NE2' ' HB2' ' A' ' 82' ' ' ARG . 33.4 tt0 -114.37 143.1 45.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -109.38 169.78 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.8 pt-20 -76.84 -46.61 24.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 6.1 t0 -131.43 158.99 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -49.19 -57.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -48.96 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -33.75 62.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.573 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 58.0 ttp -71.88 -54.78 8.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -48.38 -37.6 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.65 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.7 ' CE2' HD11 ' A' ' 15' ' ' LEU . 35.1 m95 -55.77 -54.23 46.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -47.59 -60.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -53.82 -62.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -42.69 -62.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.521 HD11 ' HE3' ' A' ' 108' ' ' TRP . 21.6 mt -54.81 -61.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.467 ' HG3' HD12 ' A' ' 73' ' ' ILE . 28.2 mt-30 -44.33 -37.97 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -68.47 -50.25 53.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.5 m -54.21 -47.2 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.7 p -62.02 -44.44 96.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.18 -44.0 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB2' HG21 ' A' ' 111' ' ' THR . 18.9 tttp -161.9 163.34 29.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -161.96 156.24 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.7 16.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.788 ' O ' HD23 ' A' ' 15' ' ' LEU . 97.4 m95 -70.97 132.22 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 14' ' ' TRP . 26.5 mt -153.33 155.95 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -91.33 106.48 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.18 110.69 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 56.8 ttt180 -124.74 95.69 42.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 53.8 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.86 -56.66 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.483 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 72.9 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -131.32 95.42 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.956 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -70.56 113.02 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.489 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.9 ptm -153.8 127.02 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 6.5 t80 -36.67 115.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 38' ' ' MET . 98.1 t -106.7 121.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.86 141.69 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.482 HD22 HG12 ' A' ' 112' ' ' ILE . 28.0 tp -116.61 113.03 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -123.88 94.89 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.45 -99.86 1.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.04 14.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -123.22 133.1 54.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' ' 40' ' ' VAL . 12.3 mt -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -108.25 109.32 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD23 ' HG3' ' A' ' 38' ' ' MET . 5.2 mp -92.67 161.6 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -150.82 138.94 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 8.2 ptpp? -66.21 -31.83 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 22.7 p-10 -145.67 124.7 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 29.5 pttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.759 0.233 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.85 HG22 HG21 ' A' ' 90' ' ' THR . 35.9 mt -103.91 103.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 110.84 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m -83.94 25.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.457 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 1.4 p-10 -65.28 115.05 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.15 50.87 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.45 147.51 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tp -104.78 106.41 16.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.752 HG21 HG23 ' A' ' 109' ' ' ILE . 45.6 mt -94.22 145.7 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 8.4 m-20 -163.19 129.21 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' SER . 76.7 mt -48.51 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 75' ' ' ILE . 57.3 p -41.21 163.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -50.79 178.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.7 p -105.62 -26.62 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' SER . 9.1 mp0 -35.17 -55.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.8 t -59.03 135.05 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.476 ' N ' ' HD2' ' A' ' 81' ' ' LYS . 9.9 mptt -60.3 -53.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' LYS . 57.4 mtt85 -34.5 121.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -95.23 170.57 9.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 53.89 39.95 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 97' ' ' PHE . 92.3 t -107.32 138.7 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.5 OUTLIER -128.24 143.58 51.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -96.9 127.2 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 90' ' ' THR . 1.1 tt -123.36 148.41 46.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.8 m -134.87 123.18 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.85 HG21 HG22 ' A' ' 66' ' ' ILE . 76.6 p -108.66 139.95 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -40.75 -25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' THR . 0.8 OUTLIER -82.28 -62.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.83 177.66 9.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -118.21 135.66 54.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.466 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 16.0 p -140.33 178.14 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.483 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 12.1 mt -123.37 154.47 38.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.765 ' O ' HG13 ' A' ' 85' ' ' VAL . 65.7 m-85 -138.07 152.8 49.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -137.15 138.92 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -107.77 170.01 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.3 pt-20 -79.99 -45.22 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 10.4 t0 -128.76 166.26 19.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.552 ' O ' HD23 ' A' ' 106' ' ' LEU . 53.2 ttt85 -57.74 -47.13 83.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -43.48 97.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.57 -42.34 74.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.585 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 45.7 ttp -67.17 -53.68 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.1 mm? -47.97 -45.07 30.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.23 76.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.536 ' CE2' HD11 ' A' ' 15' ' ' LEU . 46.2 m95 -62.5 -55.29 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.752 HG23 HG21 ' A' ' 73' ' ' ILE . 84.1 mt -47.25 -53.09 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -60.85 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 11' ' ' LYS . 97.1 m -42.58 -61.87 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.482 HG12 HD22 ' A' ' 42' ' ' LEU . 20.0 mt -54.89 -56.71 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -47.87 -37.89 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.86 -44.87 88.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 m -62.96 -48.3 79.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.6 p -71.57 -26.43 62.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.787 0.327 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.77 -48.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HB2' HG21 ' A' ' 111' ' ' THR . 16.0 tttp -157.21 158.11 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.34 151.2 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.39 163.68 17.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' O ' HD23 ' A' ' 15' ' ' LEU . 87.7 m95 -70.78 118.25 13.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 108' ' ' TRP . 56.1 mt -137.4 148.64 46.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 93.5 m-70 -85.65 105.65 16.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.8 t80 -94.0 114.58 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -128.94 99.63 21.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.72 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.73 140.75 43.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -80.56 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.482 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 77.9 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -114.81 88.79 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 37.9 tt0 -62.6 117.71 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.485 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 ptm -155.81 133.97 11.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -45.58 115.91 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 38' ' ' MET . 86.5 t -106.1 121.8 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.7 t -112.3 139.52 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 47' ' ' LEU . 31.5 tp -111.3 112.94 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -122.32 95.54 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 -100.39 1.0 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' VAL . 10.4 p-80 -124.74 14.1 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -123.73 134.18 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' LEU . 12.8 mt -104.2 113.73 27.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -103.74 116.42 32.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 49' ' ' LEU . 3.2 mp -101.14 158.37 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -147.29 126.75 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -42.62 -35.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 42.7 p30 -144.93 -179.33 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tttm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.771 0.238 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 90' ' ' THR . 30.7 mt -109.6 127.92 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.0 p -78.15 90.58 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' HIS . 17.7 m -84.14 28.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.17 -43.05 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.12 54.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -90.56 144.06 26.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.64 105.39 15.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -88.54 149.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 76' ' ' SER . 18.8 m-20 -160.81 128.97 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.5 mt -48.12 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' ASP . 38.4 t -36.1 150.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -41.63 160.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLU . 78.9 p -93.17 -26.26 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' SER . 16.3 mm-40 -34.29 -46.85 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 80' ' ' THR . 8.9 t -63.44 112.4 2.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -40.25 -46.57 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.71 145.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -120.66 153.11 37.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 37.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.99 146.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.9 OUTLIER -143.58 140.69 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.597 ' HG3' HD21 ' A' ' 96' ' ' LEU . 17.2 mtp180 -88.55 161.29 17.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.669 HD21 HG23 ' A' ' 90' ' ' THR . 1.8 tt -155.96 128.33 7.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 94' ' ' GLU . 89.3 m -115.66 124.26 50.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.669 HG23 HD21 ' A' ' 88' ' ' LEU . 30.1 p -118.88 144.96 46.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.8 p -44.18 -27.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.29 -66.92 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.5 m -152.59 177.57 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 89' ' ' THR . 6.2 mt-10 -109.7 155.96 20.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.46 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 21.9 p -167.43 170.95 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.597 HD21 ' HG3' ' A' ' 87' ' ' ARG . 4.8 mt -114.36 160.45 19.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.583 ' HE2' HD22 ' A' ' 88' ' ' LEU . 82.5 m-85 -142.51 123.82 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.446 ' O ' HD22 ' A' ' 15' ' ' LEU . 33.5 tt0 -100.5 169.42 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.27 167.27 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.72 -67.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.4 t70 -122.88 152.85 40.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' ASP . 47.0 ttt180 -36.21 -53.18 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -51.18 -50.1 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.44 -43.36 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.583 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 59.5 ttp -60.47 -58.41 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.31 -42.95 42.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.1 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CE2' HD11 ' A' ' 15' ' ' LEU . 41.3 m95 -61.49 -57.46 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.4 mt -43.49 -54.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -58.37 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.534 HG21 ' HB2' ' A' ' 11' ' ' LYS . 86.8 m -43.35 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.525 HD11 ' HE3' ' A' ' 108' ' ' TRP . 15.6 mt -58.78 -64.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -41.11 -39.58 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.27 -46.51 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -64.42 -47.36 79.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.3 p -65.78 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.761 0.315 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.78 -49.15 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HB2' HG21 ' A' ' 111' ' ' THR . 31.3 tttp -150.27 162.99 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.625 ' CB ' HG22 ' A' ' 41' ' ' VAL . 7.4 pt-20 -164.23 161.65 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.78 166.64 14.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.531 ' O ' HD23 ' A' ' 15' ' ' LEU . 85.0 m95 -72.62 132.77 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD11 ' CE2' ' A' ' 108' ' ' TRP . 80.1 mt -157.64 141.56 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -76.71 107.39 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -94.2 110.32 22.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 65.7 ttt-85 -128.26 101.88 21.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 53.7 Cg_endo -69.73 140.61 43.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 ' CA ' ' A' ' 95' ' ' CYS . 4.1 mm? -69.14 -50.35 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.801 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 55.7 m95 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.807 0.336 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -105.94 114.59 28.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -86.16 112.23 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.418 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.4 ptm -151.81 137.68 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -49.79 115.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 38' ' ' MET . 99.3 t -103.68 124.53 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 12' ' ' GLU . 46.3 t -120.45 139.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -104.68 123.44 47.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -134.84 103.2 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.54 -109.97 2.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 68' ' ' VAL . 2.0 m80 -119.66 6.32 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -121.57 144.4 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.06 118.85 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -104.82 116.05 31.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.01 163.27 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -143.73 125.02 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -41.48 -44.14 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -145.87 165.99 27.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.731 0.221 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.668 HG22 HG21 ' A' ' 90' ' ' THR . 45.0 mt -119.61 116.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -73.46 104.91 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' HIS . 10.3 m -83.47 15.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.0 115.06 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.46 52.65 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.581 ' C ' HD22 ' A' ' 72' ' ' LEU . 1.9 p -90.64 173.74 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 71' ' ' CYS . 3.4 mm? -127.19 104.03 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.4 mt -96.07 142.97 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-20 -161.9 119.8 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 75.3 mt -35.5 98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' ILE . 18.6 t -35.28 152.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -42.27 165.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.7 p -111.7 66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.11 -35.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 81' ' ' LYS . 2.9 t -71.31 124.5 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 80' ' ' THR . 30.9 mtmt -34.54 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -41.37 139.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.35 162.47 17.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.7 m120 62.23 48.8 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -114.33 135.4 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -120.85 132.69 55.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.406 ' HA ' HD23 ' A' ' 96' ' ' LEU . 26.7 ttp180 -88.76 135.11 33.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.3 tt -132.38 137.09 47.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.1 m -127.66 123.91 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.668 HG21 HG22 ' A' ' 66' ' ' ILE . 19.0 p -107.34 146.76 31.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -41.13 -25.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' THR . 14.2 t70 -82.15 -70.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 m -143.85 177.62 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 95' ' ' CYS . 41.5 tt0 -110.27 153.83 24.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.433 ' CA ' HD23 ' A' ' 20' ' ' LEU . 3.5 m -155.69 -179.12 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 87' ' ' ARG . 23.6 mt -128.86 162.88 26.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 81.5 m-85 -149.09 132.5 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.538 ' O ' HD22 ' A' ' 15' ' ' LEU . 36.8 tt0 -110.19 148.38 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 146.88 47.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -63.04 -61.18 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.0 m-20 -122.86 147.97 45.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 101' ' ' ASP . 26.3 ttm180 -36.51 -61.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ARG . 24.3 t0 -37.42 -61.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.18 -50.05 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' LEU . 41.7 ttp -56.36 -70.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' MET . 4.6 mm? -37.27 -40.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CE2' HD11 ' A' ' 15' ' ' LEU . 53.5 m95 -55.81 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.5 mt -38.65 -54.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.94 -66.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.472 HG21 ' HB2' ' A' ' 11' ' ' LYS . 47.6 m -41.7 -60.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.467 HD11 ' HE3' ' A' ' 108' ' ' TRP . 24.1 mt -53.72 -61.01 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -45.2 -41.05 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -60.6 -44.33 96.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 m -75.07 -29.68 60.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.7 p -100.16 36.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.48 -44.92 55.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 17.5 tttp -158.79 163.53 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -162.97 136.52 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.54 159.34 22.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.458 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.548 ' O ' HD23 ' A' ' 15' ' ' LEU . 83.5 m95 -68.32 128.84 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 14' ' ' TRP . 22.9 mt -153.33 147.27 25.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -83.97 111.43 19.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -94.28 115.39 27.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -128.85 102.59 19.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 95' ' ' CYS . 53.7 Cg_endo -69.77 136.58 33.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 95' ' ' CYS . 4.4 mm? -68.74 -59.36 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -131.01 95.18 3.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.27 111.14 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 ptm -156.62 128.0 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 21.0 t80 -44.91 114.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t -100.25 118.82 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.07 132.46 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 tp -108.13 113.29 26.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -124.44 96.3 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.51 -102.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -124.87 13.45 8.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -122.92 136.18 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -107.46 107.34 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -96.01 121.87 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -102.88 156.91 17.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -148.81 136.28 20.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -43.55 -51.71 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 53' ' ' LYS . 11.5 t70 -137.92 167.02 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 25.1 tttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.727 0.219 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.866 HG22 HG21 ' A' ' 90' ' ' THR . 53.3 mt -94.13 97.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 107.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 66' ' ' ILE . 30.5 m -101.75 26.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.21 -36.33 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.04 45.28 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.32 174.96 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -136.31 113.88 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.52 HD11 ' CG2' ' A' ' 112' ' ' ILE . 50.5 mt -97.56 141.63 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -157.65 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.8 mt -43.05 98.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' TYR . 38.4 t -43.62 145.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE2' ' HB ' ' A' ' 80' ' ' THR . 15.4 p90 -32.71 139.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -91.34 57.31 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -133.61 -35.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.579 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 8.2 t -56.69 123.44 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.0 mtpp -33.09 -41.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' HE ' ' N ' ' A' ' 82' ' ' ARG . 4.5 mmp_? -44.97 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -137.07 146.7 45.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 49.28 55.03 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.81 128.99 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -113.48 137.37 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.64 129.87 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.582 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -124.26 131.48 53.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.546 HG23 ' HG3' ' A' ' 94' ' ' GLU . 88.4 m -123.11 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.866 HG21 HG22 ' A' ' 66' ' ' ILE . 17.0 p -114.43 139.68 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.6 t -39.45 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' THR . 5.2 t0 -76.12 -70.03 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.2 m -147.43 176.48 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.546 ' HG3' HG23 ' A' ' 89' ' ' THR . 3.3 mt-10 -105.53 156.09 18.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.585 ' N ' HD23 ' A' ' 20' ' ' LEU . 25.3 p -167.73 172.77 8.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.17 166.16 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -150.46 124.8 9.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.473 ' HG2' ' N ' ' A' ' 99' ' ' ALA . 16.2 tt0 -102.62 153.11 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.473 ' N ' ' HG2' ' A' ' 98' ' ' GLN . . . -124.81 -177.68 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -105.7 -61.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -105.52 140.84 38.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -45.44 -44.74 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.53 -45.31 92.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.447 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 15.0 tmm? -55.29 -50.31 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.02 -45.89 89.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.31 -56.82 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.544 ' CE2' HD11 ' A' ' 15' ' ' LEU . 39.3 m95 -50.39 -53.24 30.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -45.87 -51.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 111' ' ' THR . 1.8 ttmp? -58.29 -70.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 110' ' ' LYS . 29.0 m -37.41 -58.73 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.52 ' CG2' HD11 ' A' ' 73' ' ' ILE . 16.3 mt -57.14 -56.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -47.75 -39.89 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.04 -45.94 89.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 p -69.33 -37.68 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.2 p -81.73 43.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.777 0.322 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.26 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.647 ' HB2' HG21 ' A' ' 111' ' ' THR . 26.6 tttp -154.3 169.01 24.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -163.57 152.51 14.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.46 157.59 8.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.882 ' O ' HD23 ' A' ' 15' ' ' LEU . 80.6 m95 -68.69 127.87 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.325 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 14' ' ' TRP . 22.2 mt -148.91 150.35 32.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 87.2 m-70 -86.42 109.67 19.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -94.22 109.0 20.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -123.95 97.56 40.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.2 Cg_endo -69.74 141.26 44.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD23 ' HG2' ' A' ' 94' ' ' GLU . 4.1 mm? -73.58 -46.4 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.846 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.675 ' CH2' HG21 ' A' ' 85' ' ' VAL . 77.9 m95 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.832 0.349 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -107.05 112.22 25.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 52.1 tt0 -86.16 107.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.7 ptm -147.51 132.68 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.438 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.4 t80 -44.62 116.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' HD22 ' A' ' 47' ' ' LEU . 93.7 t -105.24 118.39 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.03 137.93 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 tp -109.26 104.88 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -111.33 102.83 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -99.4 0.43 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -124.91 14.05 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 m -122.72 141.14 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.466 HD22 ' CG1' ' A' ' 40' ' ' VAL . 11.1 mt -105.39 111.42 24.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.48 102.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 4.2 mp -85.58 170.54 12.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 91.6 m-85 -160.87 129.56 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.82 -41.18 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.34 157.23 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 tttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.751 0.23 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.771 ' CG2' HG21 ' A' ' 90' ' ' THR . 36.1 mt -116.75 107.89 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 98.2 p -69.92 124.1 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 m -109.17 26.91 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.09 -37.52 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.29 51.41 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 p -94.29 177.33 5.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 mt -137.21 108.75 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 109' ' ' ILE . 36.4 mt -89.55 143.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -154.45 125.04 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.7 mt -47.72 106.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.673 ' CB ' HG13 ' A' ' 85' ' ' VAL . 4.6 p -29.77 143.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.47 158.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 m -86.39 54.43 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.76 -53.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.415 HG21 HG11 ' A' ' 85' ' ' VAL . 10.4 t -43.36 142.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.94 -27.72 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HD3' ' NE1' ' A' ' 35' ' ' TRP . 5.1 mpt_? -67.2 136.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -99.08 174.54 6.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 0.6 OUTLIER 41.35 39.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.675 HG21 ' CH2' ' A' ' 35' ' ' TRP . 8.4 p -110.36 129.64 65.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -119.57 139.22 52.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.416 ' HA ' HD23 ' A' ' 96' ' ' LEU . 18.1 ttp180 -88.9 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.734 HD21 HG23 ' A' ' 90' ' ' THR . 1.6 tt -128.02 130.65 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -116.96 118.68 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.771 HG21 ' CG2' ' A' ' 66' ' ' ILE . 31.9 p -107.67 141.78 38.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' THR . 3.8 t -38.53 -31.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' THR . 38.7 t70 -77.74 -66.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 77.2 m -145.62 177.57 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.429 ' HG2' HD23 ' A' ' 20' ' ' LEU . 42.2 tt0 -115.73 148.19 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 17.0 p -160.47 163.59 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 87' ' ' ARG . 5.3 mt -106.27 166.71 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.404 ' CE2' ' SG ' ' A' ' 95' ' ' CYS . 55.4 m-85 -147.34 129.04 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -107.83 140.66 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . . . -108.17 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -79.12 -38.4 36.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 102' ' ' ARG . 4.5 t70 -155.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' ASP . 37.4 ttp180 -34.28 -64.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.73 -49.32 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.66 -41.74 95.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.422 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 52.0 ttp -55.71 -62.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.7 mp -47.52 -54.6 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.59 -36.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.711 ' CE2' HD11 ' A' ' 15' ' ' LEU . 37.3 m95 -76.24 -51.81 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.474 HG23 HG21 ' A' ' 73' ' ' ILE . 88.5 mt -49.52 -46.31 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 21.5 ttmm -68.22 -65.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 11' ' ' LYS . 62.4 m -37.11 -56.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.583 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.9 mt -61.61 -55.46 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -47.46 -37.27 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.05 -42.79 95.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -71.59 -39.88 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.4 p -81.95 43.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -46.92 -45.78 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.1 tttp -157.05 165.89 34.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.94 161.39 25.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.31 160.43 9.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.655 ' O ' HD23 ' A' ' 15' ' ' LEU . 87.0 m95 -68.76 126.71 30.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.767 HD11 ' CE2' ' A' ' 108' ' ' TRP . 55.4 mt -149.09 152.43 36.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 99.4 m-70 -87.46 107.76 18.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.558 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 14.1 t80 -95.95 109.02 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 20.4 ttt180 -123.44 96.78 43.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.37 -37.49 32.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.2 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.43 90.84 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 57.6 tt0 -64.36 109.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 20.4 ptm -152.05 131.39 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 53' ' ' LYS . 4.3 t80 -43.28 120.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.636 HG22 HD23 ' A' ' 49' ' ' LEU . 75.8 t -110.11 120.08 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.81 145.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' A' ' 10' ' ' ALA . 19.2 tp -118.58 105.43 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 12.2 mtp-105 -116.66 119.21 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.02 -104.17 0.83 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -126.98 13.56 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 m -123.13 156.83 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.09 116.65 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.67 105.12 15.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.636 HD23 HG22 ' A' ' 40' ' ' VAL . 4.4 mp -88.05 169.43 11.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 56.8 m-85 -156.75 141.03 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 12.6 ptmt -61.64 -45.28 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.0 t0 -136.96 -178.41 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 18.7 tptp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.772 0.238 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.509 HG22 HG21 ' A' ' 90' ' ' THR . 17.1 mt -114.28 123.55 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -76.5 104.89 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -69.86 -22.36 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.521 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.6 t-20 -38.55 111.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 72.69 40.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.96 139.4 31.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.67 103.98 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.516 HG21 HG23 ' A' ' 109' ' ' ILE . 42.1 mt -92.27 143.62 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -162.77 126.75 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 76' ' ' SER . 85.9 mt -46.04 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 75' ' ' ILE . 1.5 t -35.37 153.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -48.25 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.435 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 11.8 t -112.33 51.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -123.24 -62.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.938 HG23 ' NE ' ' A' ' 82' ' ' ARG . 1.8 t -47.51 137.02 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -71.75 90.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.938 ' NE ' HG23 ' A' ' 80' ' ' THR . 0.0 OUTLIER -159.35 178.48 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -144.11 133.87 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 63.41 52.75 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.579 HG21 ' HD3' ' A' ' 82' ' ' ARG . 93.3 t -113.37 133.12 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.2 p90 -123.03 133.73 54.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.548 ' HA ' HD23 ' A' ' 96' ' ' LEU . 20.9 ttp180 -88.8 120.14 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.798 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -113.18 130.33 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 117.65 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.798 ' CG2' HD21 ' A' ' 88' ' ' LEU . 11.1 p -108.69 139.2 43.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 72.4 m -37.4 -33.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' THR . 44.4 t0 -73.57 -69.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.85 178.9 6.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -125.02 130.81 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 16.2 p -145.68 173.0 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 87' ' ' ARG . 24.6 mt -115.63 170.14 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.568 ' O ' HG13 ' A' ' 85' ' ' VAL . 75.6 m-85 -148.7 140.59 23.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.551 ' O ' HD22 ' A' ' 15' ' ' LEU . 33.5 tt0 -111.85 165.69 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.17 149.93 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.38 -58.45 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.07 146.21 43.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -44.67 -60.05 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -39.54 -50.81 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.03 -46.9 82.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 14.8 tmm? -56.41 -55.82 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.42 HD22 ' SD ' ' A' ' 105' ' ' MET . 4.2 mm? -51.84 -42.33 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.72 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.767 ' CE2' HD11 ' A' ' 15' ' ' LEU . 51.7 m95 -60.08 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.516 HG23 HG21 ' A' ' 73' ' ' ILE . 61.0 mt -41.24 -52.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 11' ' ' LYS . 75.3 m -42.48 -60.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.5 mt -56.38 -57.03 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -47.0 -39.71 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.07 -49.44 77.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -58.99 -39.85 83.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 p -72.12 -25.38 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -128.68 164.4 23.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t 54.94 44.7 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.88 -78.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t -50.85 122.96 8.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 p -58.54 156.1 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.78 171.98 48.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -122.87 26.29 8.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 43' ' ' ARG . . . -127.51 122.53 33.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.68 -47.85 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HB2' HG21 ' A' ' 111' ' ' THR . 30.9 tttp -149.29 158.98 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.45 148.81 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.24 155.03 8.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.552 ' O ' HD23 ' A' ' 15' ' ' LEU . 77.8 m95 -68.73 131.26 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD11 ' CE2' ' A' ' 108' ' ' TRP . 11.1 mt -152.57 158.2 42.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -91.3 111.3 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -97.1 110.81 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 62.7 ttt-85 -118.93 95.66 49.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.81 143.1 49.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.63 -39.91 26.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -170.51 149.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -117.37 -34.88 4.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -96.93 163.5 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -128.65 -33.17 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.79 35.12 4.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.549 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -139.55 130.67 26.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -95.77 96.36 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.17 148.24 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.32 73.75 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.46 155.01 9.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 t -51.03 156.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.437 HG22 ' HG3' ' A' ' 33' ' ' ARG . 4.3 mp -81.05 -37.35 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG3' HG22 ' A' ' 32' ' ' ILE . 62.5 mtm180 -155.52 143.65 14.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.49 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 82' ' ' ARG . 93.5 m95 -49.8 120.02 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -104.73 132.81 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -98.95 109.8 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.437 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.0 ptm -149.05 132.72 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' TYR . 23.0 t80 -47.86 115.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 38' ' ' MET . 90.1 t -104.11 124.91 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -121.33 137.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.1 tp -106.54 106.83 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.525 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 97.1 mtt180 -116.48 105.81 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.34 -104.53 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -126.86 13.87 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.6 m -124.41 144.62 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.1 110.95 23.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -99.82 113.15 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mp -94.09 158.41 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 51.5 m-85 -151.73 133.47 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -144.74 163.32 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -101.25 32.76 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -68.03 -48.9 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -149.09 132.57 16.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -102.39 -43.5 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLN . 76.4 p -34.51 -43.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.5 p -79.17 152.28 76.35 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.589 0.709 . . . . 0.0 111.175 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -179.92 3.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 13.9 p -51.61 171.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -104.99 -55.82 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -122.64 -33.95 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 60' ' ' SER . 6.7 mm-40 -83.26 120.87 26.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -69.53 151.58 96.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 146.47 60.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 mt -115.63 134.89 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -83.13 134.2 35.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.05 -1.83 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -42.34 -38.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.52 60.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.83 176.21 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mp -137.64 105.44 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.6 mt -92.08 144.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 76' ' ' SER . 15.9 m-20 -161.2 117.38 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' SER . 70.5 mt -37.5 95.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.678 ' HB3' HG13 ' A' ' 85' ' ' VAL . 47.8 t -34.84 149.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -45.74 153.66 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -94.97 44.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -113.75 -31.49 6.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' ARG . 9.0 t -70.78 126.68 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -42.7 -24.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 35' ' ' TRP . 38.5 mtt85 -72.66 122.33 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -100.67 151.42 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 51.0 m-20 66.18 39.93 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 76' ' ' SER . 8.5 p -110.7 130.63 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.2 p90 -109.88 140.4 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.742 ' HA ' HD23 ' A' ' 96' ' ' LEU . 43.5 ttp85 -98.35 125.7 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.645 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.8 tt -118.38 131.74 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.1 m -124.32 111.08 15.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.645 ' CG2' HD21 ' A' ' 88' ' ' LEU . 10.4 p -92.94 149.36 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.7 p -53.27 -23.12 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.4 -54.35 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 177.64 8.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -125.08 150.84 46.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -163.18 178.82 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 87' ' ' ARG . 9.4 mt -124.69 168.35 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.9 m-85 -153.04 121.97 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 59.7 tt0 -102.52 159.48 15.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.52 175.44 9.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -93.49 -64.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.9 138.74 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -42.28 -54.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.66 -42.17 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.49 -46.41 76.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 21.4 ttp -54.86 -57.24 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.0 mt -46.89 -45.95 20.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.42 -54.07 15.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.6 m95 -55.88 -62.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 86' ' ' PHE . 82.0 mt -39.38 -48.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' THR . 19.4 ttpt -63.78 -66.07 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 11' ' ' LYS . 88.6 m -37.19 -57.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 115' ' ' SER . 14.8 mt -60.18 -63.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.76 -30.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.15 -39.18 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' ILE . 3.6 m -68.2 -51.54 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.9 p -58.36 -51.73 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -51.05 163.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.96 124.96 21.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -85.86 42.53 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.7 t -88.59 43.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -71.67 166.85 52.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 92.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.305 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.4 p -106.38 42.15 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.0 p -116.24 146.93 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 67.4 p -36.67 -32.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' GLY . 3.6 m -127.77 113.71 16.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.37 53.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -112.27 -48.54 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.837 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -73.13 102.83 3.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.69 55.31 0.7 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.92 134.1 34.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.09 121.25 10.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -49.73 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.564 ' HB2' HG21 ' A' ' 111' ' ' THR . 25.4 tttp -150.18 165.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -165.03 161.67 19.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 159.97 9.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.529 ' O ' HD23 ' A' ' 15' ' ' LEU . 89.0 m95 -70.02 111.07 5.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.958 HD11 ' CE2' ' A' ' 108' ' ' TRP . 38.5 mt -131.3 141.35 49.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 37' ' ' GLN . 51.7 m80 -79.93 107.83 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.17 110.09 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -125.01 97.91 37.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.78 141.6 45.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.583 HD23 ' HG2' ' A' ' 94' ' ' GLU . 4.1 mm? -73.59 -45.34 53.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -169.81 151.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.4 p -130.37 179.39 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -50.42 133.3 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -84.57 98.26 10.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.79 -0.45 2.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.749 ' O ' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -97.1 64.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? 39.54 42.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 26' ' ' LYS . 17.4 m -116.76 50.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.74 -159.6 15.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.16 -106.86 2.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.6 m -138.84 137.57 36.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.6 mt -78.76 125.5 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -89.75 153.7 47.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.6 Cg_endo -69.81 -176.4 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' PRO . 70.9 m95 -35.79 138.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -114.6 96.01 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 16' ' ' HIS . 56.8 tt0 -69.29 113.07 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.7 ptm -150.18 142.78 24.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' TYR . 11.5 t80 -54.49 110.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 ' HG ' ' A' ' 49' ' ' LEU . 53.7 t -99.5 127.48 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.34 131.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.07 105.17 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -113.67 97.88 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.72 -99.29 1.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.4 p-80 -126.34 14.07 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 m -122.29 143.38 49.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -108.93 106.89 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CD1' ' HB3' ' A' ' 65' ' ' PRO . 69.7 m-85 -97.32 106.47 18.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.535 ' HG ' HG22 ' A' ' 40' ' ' VAL . 4.5 mp -90.85 155.53 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' TYR . 71.0 m-85 -148.39 138.45 22.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -74.49 -24.23 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -126.08 173.46 9.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -113.56 -22.35 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -53.11 -53.87 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.84 83.46 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -85.32 -26.27 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 68.4 m -65.52 -61.0 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.3 p -44.94 147.5 1.13 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.28 16.97 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.3 p -44.01 128.07 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -73.22 -69.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -99.58 -57.86 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -62.22 167.61 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -121.37 150.51 54.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HB3' ' CD1' ' A' ' 48' ' ' TYR . 53.7 Cg_endo -69.72 143.11 49.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 mt -120.84 108.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -63.44 102.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' HIS . 13.4 m -82.98 31.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 9.3 t30 -69.67 107.64 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 68.07 54.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.802 ' SG ' HG22 ' A' ' 90' ' ' THR . 58.1 m -111.04 171.7 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -109.18 155.32 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.433 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 29.9 mt -143.8 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 73' ' ' ILE . 74.1 m-20 -146.59 141.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' SER . 99.5 mt -61.02 102.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' ILE . 49.4 p -34.23 131.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.37 162.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -85.17 28.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.98 -58.73 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -47.65 140.18 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -80.02 46.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 17.2 mtp85 -140.08 153.4 46.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 85' ' ' VAL . 39.2 mtmt -108.24 176.94 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER 37.42 50.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 83' ' ' LYS . 78.5 t -120.53 131.92 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HD11 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -123.41 141.58 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -101.0 128.45 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 90' ' ' THR . 1.3 tt -119.41 139.23 52.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -124.68 127.84 47.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.802 HG22 ' SG ' ' A' ' 71' ' ' CYS . 44.8 p -113.21 153.71 27.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 t -50.84 -21.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.51 -69.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 99.1 m -141.41 172.17 13.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.583 ' HG2' HD23 ' A' ' 20' ' ' LEU . 41.1 tt0 -111.32 155.63 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.427 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 31.8 p -162.87 167.85 22.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mt -115.61 170.26 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.671 ' O ' HG13 ' A' ' 85' ' ' VAL . 75.3 m-85 -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.614 ' HB2' HG22 ' A' ' 85' ' ' VAL . 36.5 tt0 -133.2 138.27 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.32 -175.59 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.65 -49.86 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.449 ' OD1' ' CG ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -124.48 149.92 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -42.07 -55.37 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.88 -51.83 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 101' ' ' ASP . 11.9 m-20 -54.26 -47.29 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 106' ' ' LEU . 12.8 tmm? -55.16 -70.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.457 ' N ' ' SD ' ' A' ' 105' ' ' MET . 50.9 mt -42.39 -46.63 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.35 32.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.958 ' CE2' HD11 ' A' ' 15' ' ' LEU . 48.3 m95 -60.45 -66.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 86' ' ' PHE . 77.1 mt -37.21 -49.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.564 HG21 ' HB2' ' A' ' 11' ' ' LYS . 80.9 m -39.28 -54.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.488 HD11 ' HE3' ' A' ' 108' ' ' TRP . 16.7 mt -61.61 -51.19 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.69 -34.14 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -65.61 -48.23 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m -69.11 -41.77 76.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -83.86 56.02 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -159.05 119.12 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.6 mt -75.54 130.12 38.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -97.51 87.97 4.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.3 t -55.79 -44.08 77.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.59 142.34 15.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -19.14 36.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.29 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.8 p -50.14 147.33 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 t -159.6 128.73 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -76.68 173.71 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -154.92 150.26 27.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.96 47.5 46.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -52.7 -59.39 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -64.95 132.72 50.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.32 161.9 12.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.62 26.64 8.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.844 0.355 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.07 111.15 16.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.76 -43.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' A' ' 111' ' ' THR . 36.4 tttp -161.74 156.38 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.97 156.22 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.91 168.17 25.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.646 ' O ' HD23 ' A' ' 15' ' ' LEU . 82.6 m95 -78.63 122.03 25.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 98' ' ' GLN . 44.1 mt -144.28 143.69 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -79.8 110.18 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 16.7 t80 -98.74 110.17 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -121.06 98.34 47.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.74 143.9 52.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.71 2.274 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.34 -48.7 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.06 136.64 51.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -134.8 173.47 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 25' ' ' GLY . 4.9 m-20 -68.16 95.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -38.45 94.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . 81.61 -145.64 25.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tptm 66.52 40.79 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 59.18 44.52 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.5 p -174.48 145.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.76 154.47 15.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.29 -133.04 1.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m -94.12 -175.72 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 mm -53.13 134.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -139.81 144.25 38.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.605 0.716 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.85 29.61 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.616 ' CH2' HD13 ' A' ' 96' ' ' LEU . 84.6 m95 -43.27 148.67 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -122.62 102.43 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.29 117.15 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.431 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.3 ptm -153.34 126.15 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 53' ' ' LYS . 15.1 t80 -44.59 107.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 38' ' ' MET . 73.5 t -94.12 129.43 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.1 t -120.7 138.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.1 tp -113.31 108.72 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -118.75 112.86 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.18 -100.94 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -126.66 12.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -119.05 161.18 20.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.95 116.87 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -106.01 113.58 27.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 49' ' ' LEU . 2.6 mp -97.33 151.66 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -141.97 135.34 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -49.88 -28.96 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 3.8 p30 -161.14 132.26 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 41.4 tttm -39.71 -55.33 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' GLU . 24.7 ptt180 -66.31 171.53 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' ARG . 12.7 pt-20 36.05 55.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 8.5 mm100 -46.31 -20.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -74.98 53.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 p -86.06 156.65 57.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.56 0.695 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.96 35.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 62' ' ' GLU . 10.4 p -80.09 -21.94 42.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 46.6 mt-10 -34.83 -32.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 60' ' ' SER . 22.2 mt-10 -43.4 -50.28 6.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.5 mp0 -33.26 97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' GLU . 12.0 pt20 -48.85 148.23 3.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.78 55.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.635 ' CG2' HG21 ' A' ' 90' ' ' THR . 17.0 mt -95.86 110.77 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.7 111.4 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 69' ' ' ASN . 19.6 m -91.89 -7.13 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.1 t30 -35.57 -37.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.03 66.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.18 177.77 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -135.05 111.76 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.41 HG21 HG23 ' A' ' 109' ' ' ILE . 34.2 mt -96.67 142.93 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -159.68 122.81 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.4 mt -44.34 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.401 ' OG ' ' CD2' ' A' ' 96' ' ' LEU . 58.8 m -41.04 159.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.642 ' O ' HG22 ' A' ' 80' ' ' THR . 24.2 p90 -57.85 139.42 54.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 80' ' ' THR . 73.8 m -63.04 -44.32 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.491 ' N ' ' OE1' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -40.52 -26.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 77' ' ' TYR . 6.7 t -59.33 115.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -38.64 -44.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 35' ' ' TRP . 12.3 mmp_? -52.7 173.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -132.88 151.84 51.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 45.2 53.67 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.731 HG13 ' O ' ' A' ' 97' ' ' PHE . 91.8 t -109.49 133.17 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.545 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -115.91 129.84 56.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.483 ' CG ' ' OE2' ' A' ' 94' ' ' GLU . 27.4 ttp180 -90.1 125.74 35.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.759 HD21 HG23 ' A' ' 90' ' ' THR . 0.8 OUTLIER -117.9 136.48 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 m -121.71 120.07 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.759 HG23 HD21 ' A' ' 88' ' ' LEU . 19.4 p -109.76 139.87 44.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -41.66 -25.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' THR . 18.6 t0 -81.68 -66.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 m -148.73 167.97 24.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.483 ' OE2' ' CG ' ' A' ' 87' ' ' ARG . 8.1 tm-20 -102.11 159.24 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.439 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 18.0 p -167.31 159.2 12.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.616 HD13 ' CH2' ' A' ' 35' ' ' TRP . 12.3 mt -105.95 160.19 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.731 ' O ' HG13 ' A' ' 85' ' ' VAL . 50.0 m-85 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.716 ' O ' HD22 ' A' ' 15' ' ' LEU . 57.2 tt0 -115.78 165.95 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 98' ' ' GLN . . . -139.31 147.51 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.22 -61.15 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 102' ' ' ARG . 63.6 m-20 -120.77 141.29 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.3 ttt85 -33.95 -55.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.84 -55.57 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.5 -51.9 33.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.459 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 51.8 ttp -49.41 -69.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.409 ' H ' ' CD2' ' A' ' 106' ' ' LEU . 4.1 mm? -38.94 -49.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.98 -53.33 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.71 ' CE2' HD11 ' A' ' 15' ' ' LEU . 40.7 m95 -57.88 -62.89 1.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.41 HG23 HG21 ' A' ' 73' ' ' ILE . 82.3 mt -39.59 -52.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.477 HG21 ' HB2' ' A' ' 11' ' ' LYS . 91.1 m -38.5 -58.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.522 HD11 ' HE3' ' A' ' 108' ' ' TRP . 15.1 mt -59.11 -57.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -48.19 -32.41 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.86 -36.74 75.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -75.09 -38.85 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.7 p -86.89 39.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.0 125.38 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.1 mt -38.27 131.29 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -60.37 169.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.6 p -71.77 106.14 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.04 78.16 0.33 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 100.79 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.29 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -77.06 -56.66 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 125' ' ' GLY . 84.7 p -103.47 42.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 124' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -92.95 95.77 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -77.76 -56.32 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.59 67.65 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -119.69 138.66 53.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -111.74 41.04 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.45 171.98 39.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -90.37 25.06 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.17 120.56 27.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -40.53 -49.99 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.0 tttp -150.86 158.77 44.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -159.05 155.65 27.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.6 159.38 9.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -67.58 118.69 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.777 HD11 ' CE2' ' A' ' 108' ' ' TRP . 89.3 mt -138.19 142.43 40.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -81.3 109.29 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.1 t80 -93.78 109.75 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -117.68 97.66 50.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.76 141.83 46.29 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 20' ' ' LEU . 9.4 mt -91.66 -55.38 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.91 144.31 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.0 p -134.94 -58.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -86.1 169.12 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -117.42 78.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.19 60.17 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.2 147.41 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.74 0.305 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -97.91 44.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.5 -37.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.69 163.47 32.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.37 157.56 2.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.459 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.2 m -106.0 94.72 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 32' ' ' ILE . 10.0 mt 39.52 42.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -61.92 149.66 85.1 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.601 0.715 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 172.36 12.78 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.601 ' HH2' HG21 ' A' ' 85' ' ' VAL . 63.3 m95 -49.71 144.55 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -112.38 114.0 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.76 105.63 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.425 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 ptm -147.11 125.33 12.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.4 t80 -40.76 114.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.473 HG22 HD23 ' A' ' 49' ' ' LEU . 70.0 t -103.18 121.79 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.72 139.76 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.2 tp -110.0 116.11 31.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -130.29 113.73 14.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -115.08 5.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.501 ' O ' HG22 ' A' ' 68' ' ' VAL . 13.5 m80 -118.27 13.81 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.3 m -126.49 151.03 48.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -107.72 122.65 47.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -109.94 111.92 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD23 HG22 ' A' ' 40' ' ' VAL . 5.0 mp -96.56 159.32 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.591 ' CD2' ' OE1' ' A' ' 56' ' ' GLN . 46.0 m-85 -152.12 135.44 15.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.2 -38.22 85.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -124.12 175.04 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -85.24 -55.29 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -52.34 158.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 61.87 50.44 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.591 ' OE1' ' CD2' ' A' ' 50' ' ' TYR . 1.5 tp-100 -90.96 17.46 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.9 p -77.74 -51.25 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -86.65 155.69 56.23 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.57 0.7 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.1 Cg_endo -69.73 177.57 5.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.379 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 59' ' ' PRO . 8.6 t -35.61 127.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -67.73 -63.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -94.14 -61.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.87 170.14 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -118.66 153.33 52.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.01 49.57 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.87 124.98 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 t -76.13 107.8 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 45' ' ' HIS . 11.3 m -88.25 -8.38 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -33.79 -43.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.96 64.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.6 177.51 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 tt -134.08 126.25 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 1.065 HG21 HG23 ' A' ' 109' ' ' ILE . 44.6 mt -108.7 145.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -162.44 122.91 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' SER . 79.8 mt -41.55 96.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.524 ' HB3' HG13 ' A' ' 85' ' ' VAL . 8.1 t -34.87 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.545 ' O ' HG22 ' A' ' 80' ' ' THR . 12.0 p90 -53.0 106.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.6 p -44.07 -23.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -43.44 27.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 77' ' ' TYR . 9.1 t -52.67 116.84 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' THR . 9.1 ptpp? -33.87 -38.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 2.3 mpt_? -62.28 134.58 56.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -105.55 161.02 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.33 45.68 26.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.601 HG21 ' HH2' ' A' ' 35' ' ' TRP . 7.5 p -117.38 132.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.575 ' HB3' HD11 ' A' ' 109' ' ' ILE . 1.6 p90 -113.42 144.57 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HA ' HD23 ' A' ' 96' ' ' LEU . 21.7 ttp180 -98.12 136.63 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.739 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.6 tt -132.93 126.7 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.608 HG23 ' HG2' ' A' ' 94' ' ' GLU . 10.6 m -114.84 121.94 44.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.739 ' CG2' HD21 ' A' ' 88' ' ' LEU . 18.9 p -116.51 139.4 50.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -41.73 -31.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.24 -66.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.1 m -154.65 154.47 33.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.608 ' HG2' HG23 ' A' ' 89' ' ' THR . 4.4 tm-20 -92.21 143.8 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.499 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 6.8 m -152.86 -179.32 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 87' ' ' ARG . 19.1 mt -129.13 156.66 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 85' ' ' VAL . 96.4 m-85 -141.25 122.52 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.443 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 57.6 tt0 -103.09 161.99 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.22 -176.29 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -96.52 -61.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.38 146.28 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -45.95 -49.36 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.05 -53.92 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -40.68 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -60.95 -49.09 78.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.27 -50.37 73.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.11 -43.17 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.777 ' CE2' HD11 ' A' ' 15' ' ' LEU . 36.2 m95 -65.63 -52.42 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 1.065 HG23 HG21 ' A' ' 73' ' ' ILE . 84.3 mt -49.67 -52.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -65.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.469 HG21 ' HB2' ' A' ' 11' ' ' LYS . 32.3 m -41.17 -59.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.93 -55.62 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.33 -44.38 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.24 -48.14 71.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -64.84 -38.43 90.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 97.0 p -84.4 45.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -154.26 111.07 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.4 mt -42.8 136.35 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -120.42 -45.43 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -125.88 87.46 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -146.18 -72.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -27.64 26.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m 49.91 44.3 25.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.6 t -97.68 123.35 41.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m 38.31 42.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -84.07 42.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.15 164.17 12.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 m 46.11 41.83 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -107.87 115.86 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.41 -88.75 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.49 144.35 27.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.96 123.23 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.52 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 24.8 tttp -153.72 163.73 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.87 157.39 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.86 163.68 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.645 ' O ' HD23 ' A' ' 15' ' ' LEU . 94.2 m95 -70.84 124.98 25.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.855 HD11 ' CE2' ' A' ' 108' ' ' TRP . 45.1 mt -144.94 149.38 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -84.75 104.39 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 13.5 t80 -94.09 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HD3' ' CD2' ' A' ' 35' ' ' TRP . 36.3 ttp180 -123.48 99.86 39.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.81 139.59 40.42 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.0 -45.51 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -160.92 153.7 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -126.34 -29.32 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -156.09 147.36 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -75.32 88.98 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.62 54.55 20.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.96 102.34 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 50.0 44.59 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -107.71 149.65 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 -115.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.58 -71.75 0.24 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.2 p -81.69 166.71 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 mt -109.38 138.34 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -55.89 132.95 73.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.84 2.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.699 ' CH2' HD13 ' A' ' 96' ' ' LEU . 88.1 m95 -41.91 132.27 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -114.58 117.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -89.13 106.28 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.7 ptm -143.8 139.51 29.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -49.54 109.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 38' ' ' MET . 97.7 t -99.34 127.39 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.55 138.21 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -111.31 105.93 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -112.29 105.13 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.17 -98.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.413 ' O ' HG22 ' A' ' 68' ' ' VAL . 8.3 m-70 -126.63 13.04 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -121.57 143.48 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -107.05 111.76 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 52.1 m-85 -103.11 113.07 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 49' ' ' LEU . 3.0 mp -97.81 156.21 16.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -143.87 134.86 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.53 -23.3 67.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -140.68 179.43 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -96.49 31.47 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -70.86 163.99 26.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -37.88 117.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -85.66 27.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 p -72.7 -7.99 53.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.35 156.09 75.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 111.196 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 60' ' ' SER . 53.2 Cg_endo -69.81 176.24 7.08 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.667 2.244 . . . . 0.0 112.335 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' PRO . 15.6 p -36.96 130.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.52 -67.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -108.29 -52.29 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -59.61 167.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -108.51 152.31 42.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.6 Cg_endo -69.76 144.97 55.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.309 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.7 ' CG2' HG21 ' A' ' 90' ' ' THR . 20.2 mt -110.79 114.3 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 t -73.7 103.23 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 45' ' ' HIS . 5.6 m -69.92 -10.96 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 63.2 t30 -44.07 105.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.7 49.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.4 p -97.42 170.32 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 72' ' ' LEU . 5.8 tt -125.86 115.55 20.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.5 mt -104.77 147.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -163.06 124.97 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' SER . 64.4 mt -45.7 95.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.561 ' HB3' HG13 ' A' ' 85' ' ' VAL . 33.6 t -35.02 150.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.484 ' CD2' ' HB3' ' A' ' 79' ' ' GLU . 34.4 p90 -48.74 174.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.8 p -95.26 -28.95 14.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 77' ' ' TYR . 4.9 tp10 -37.84 -46.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.428 HG21 HG11 ' A' ' 85' ' ' VAL . 5.6 t -54.24 137.86 40.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' C ' ' HG3' ' A' ' 82' ' ' ARG . 31.7 tttt -77.4 46.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NH2' ' CD1' ' A' ' 35' ' ' TRP . 34.1 mtt-85 -144.25 129.6 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -99.22 145.22 27.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 71.53 40.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 76' ' ' SER . 9.5 p -113.45 128.63 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 0.9 OUTLIER -111.18 144.49 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.638 ' HA ' HD23 ' A' ' 96' ' ' LEU . 43.5 ttp180 -101.91 128.67 48.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.797 HD21 HG23 ' A' ' 90' ' ' THR . 1.9 tt -122.9 136.24 54.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 94' ' ' GLU . 25.1 m -125.27 115.56 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.797 HG23 HD21 ' A' ' 88' ' ' LEU . 28.0 p -103.55 153.6 20.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -51.57 -31.92 26.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.44 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -153.46 174.09 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.504 ' HG3' HG23 ' A' ' 89' ' ' THR . 1.1 mp0 -102.89 154.2 19.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.421 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 14.9 p -167.9 158.45 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 ' CH2' ' A' ' 35' ' ' TRP . 7.6 mt -109.15 165.95 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.4 m-85 -149.85 124.62 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.477 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 64.5 tt0 -115.05 153.6 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.21 173.73 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.94 -59.97 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -122.17 159.56 26.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -41.07 -64.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.7 -53.24 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -39.77 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.438 ' SD ' HD12 ' A' ' 106' ' ' LEU . 15.4 tmm? -63.24 -54.06 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.438 HD12 ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER -60.68 -52.3 65.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.35 -51.43 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.855 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.2 m95 -57.06 -61.71 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.5 mt -40.6 -53.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -53.37 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.0 m -40.78 -62.26 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.7 mt -53.99 -63.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.5 -39.56 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.52 -44.34 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -59.85 -37.84 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.5 p -79.6 -40.44 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -40.69 141.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -86.12 46.16 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 120' ' ' SER . 28.6 m-20 -44.25 135.34 4.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ASN . 1.7 t -37.47 133.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -70.19 146.46 42.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.29 25.26 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.297 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 m -84.32 177.07 8.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.2 m -79.89 168.17 19.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -85.49 87.44 7.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -172.75 152.17 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.37 81.51 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -116.24 143.58 45.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -148.47 127.44 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.19 51.13 3.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -158.24 148.32 20.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.14 112.73 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.01 -48.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 35.1 tttp -152.99 165.85 34.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HB2' HG22 ' A' ' 41' ' ' VAL . 12.9 pt-20 -164.1 149.56 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.24 156.96 8.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.692 ' O ' HD23 ' A' ' 15' ' ' LEU . 82.9 m95 -67.85 131.26 45.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 14' ' ' TRP . 31.7 mt -151.85 153.82 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.554 ' CD2' HH22 ' A' ' 82' ' ' ARG . 70.8 m80 -88.75 108.43 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 7.1 t80 -94.97 115.26 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 23.6 ttp180 -126.02 97.06 35.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.79 142.75 48.66 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' CG ' ' A' ' 94' ' ' GLU . 83.0 mt -90.61 -30.37 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 p -174.55 140.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.6 p -122.34 -28.53 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -136.2 163.39 30.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -48.35 2.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.11 51.8 0.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.437 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -145.4 116.09 7.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -81.21 47.02 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 29' ' ' GLY . 12.2 p -77.84 -41.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -99.85 -87.07 1.93 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.529 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.6 -60.65 2.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.6 m -72.45 155.96 39.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.813 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -107.0 130.84 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -124.16 150.47 63.53 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.697 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.673 2.249 . . . . 0.0 112.292 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.528 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 51.5 m95 -57.95 168.71 0.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -134.42 106.81 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.47 99.59 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.498 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.8 ptm -142.86 136.88 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -46.3 118.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 38' ' ' MET . 70.7 t -111.03 119.6 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 12' ' ' GLU . 89.2 t -114.06 142.03 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.1 tp -108.4 105.46 15.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -114.17 105.44 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -103.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.99 12.27 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -123.18 139.4 54.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' A' ' 40' ' ' VAL . 11.3 mt -100.93 112.92 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -99.85 114.61 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 5.0 mp -96.96 153.06 18.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 42.4 m-85 -146.93 119.38 8.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.23 -31.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.28 179.65 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -99.38 35.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -57.07 -67.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -142.08 153.83 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -123.0 25.63 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -105.49 -15.4 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 p -115.26 152.19 46.58 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.1 Cg_endo -69.77 159.54 53.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.644 2.229 . . . . 0.0 112.359 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' PRO . 71.7 m -37.1 121.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -65.28 -53.38 44.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -99.62 -57.78 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -67.19 170.89 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -116.16 152.82 48.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 145.96 58.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.766 HG22 HG21 ' A' ' 90' ' ' THR . 9.0 mt -119.98 118.01 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 p -71.2 116.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 17.0 m -82.27 -19.72 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 2.3 t30 -38.91 109.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 71.9 47.11 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 68' ' ' VAL . 3.7 p -92.91 174.81 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.85 102.31 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.759 HG21 HG23 ' A' ' 109' ' ' ILE . 37.6 mt -93.63 142.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 20.1 m-20 -163.21 123.67 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.5 mt -45.64 103.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.607 ' OG ' HD22 ' A' ' 96' ' ' LEU . 2.5 m -39.99 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.425 ' O ' HG22 ' A' ' 80' ' ' THR . 9.8 p90 -55.9 129.23 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -58.39 -24.55 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -46.31 -37.07 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 80' ' ' THR . 6.0 t -65.31 114.12 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -43.82 -23.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.554 HH22 ' CD2' ' A' ' 16' ' ' HIS . 32.3 mtp85 -73.7 123.49 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -93.29 -178.68 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 38.23 48.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 97' ' ' PHE . 13.2 p -123.02 127.4 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.493 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.1 p90 -117.82 139.0 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.527 ' HA ' HD23 ' A' ' 96' ' ' LEU . 4.4 ttp-105 -91.32 129.7 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -123.76 133.65 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 m -123.15 126.51 47.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.766 HG21 HG22 ' A' ' 66' ' ' ILE . 2.6 p -109.94 140.07 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -42.06 -31.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.71 -59.07 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.35 177.77 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.52 ' CG ' HD12 ' A' ' 20' ' ' LEU . 51.5 tt0 -123.55 142.86 50.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -157.17 159.53 37.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD22 ' OG ' ' A' ' 76' ' ' SER . 88.1 mt -104.74 171.7 7.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.1 m-85 -152.49 146.63 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.407 ' OE1' ' NH2' ' A' ' 82' ' ' ARG . 56.8 tt0 -134.1 147.4 50.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.03 170.1 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -71.61 -45.02 63.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -140.96 153.5 45.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -41.74 -61.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -39.83 -59.67 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OE1' ' A' ' 100' ' ' GLU . 3.6 m-20 -50.55 -42.44 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.461 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 55.9 ttp -59.59 -64.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -37.79 -44.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.81 62.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.636 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.2 m95 -55.64 -59.51 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.759 HG23 HG21 ' A' ' 73' ' ' ILE . 85.9 mt -42.35 -48.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' THR . 16.8 ttpp -62.31 -68.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 88.4 m -38.13 -60.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.5 mt -53.29 -63.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -42.82 -42.43 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.03 -45.38 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -56.09 -52.02 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -50.57 62.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -57.59 124.39 18.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -91.27 151.36 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.24 169.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.7 m 63.15 42.59 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -135.97 69.62 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 125.51 12.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -86.99 160.97 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.8 m -90.12 144.3 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 54.6 49.15 18.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.388 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 t -132.7 149.29 52.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.98 173.45 31.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -110.76 -40.23 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -110.81 120.94 44.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.78 88.8 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.443 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -66.0 90.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -165.39 115.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -35.35 -45.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HB2' HG21 ' A' ' 111' ' ' THR . 18.7 tttp -157.45 162.84 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.79 151.26 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.34 153.94 7.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 89.1 m95 -68.16 115.53 7.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 108' ' ' TRP . 35.5 mt -136.09 148.12 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.0 m80 -86.0 110.63 19.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.0 t80 -94.31 119.32 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 16.8 ttp180 -132.1 99.78 16.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.476 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.1 Cg_endo -69.73 151.65 69.28 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 20' ' ' LEU . 2.9 mm? -86.56 -64.01 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -128.11 11.09 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' VAL . 5.8 t -32.74 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -63.62 91.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 25' ' ' GLY . 35.4 ttpt -100.84 155.21 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' HG2' ' A' ' 24' ' ' LYS . . . 34.38 39.33 0.14 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -100.59 -28.44 12.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 110.856 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 52.63 54.98 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -116.13 129.15 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.16 -105.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.52 68.22 0.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 32' ' ' ILE . 1.2 m -63.31 -25.04 68.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.853 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' SER . 57.7 mt -34.22 123.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' CD ' ' HE3' ' A' ' 36' ' ' LYS . 2.2 ttp180 -137.86 143.6 40.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.443 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 53.5 Cg_endo -69.74 156.37 63.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.427 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 68.6 m95 -39.85 156.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HE3' ' CD ' ' A' ' 33' ' ' ARG . 10.2 mttp -125.94 115.3 19.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -84.85 102.76 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.1 ptm -145.0 124.48 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' TYR . 8.9 t80 -42.59 115.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.597 HG22 HD23 ' A' ' 49' ' ' LEU . 88.8 t -103.02 118.31 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.98 138.37 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 tp -105.33 110.69 23.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -120.48 100.1 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -103.17 1.8 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.422 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.568 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -126.48 10.56 7.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.2 m -121.09 145.37 47.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.521 HD22 ' CG1' ' A' ' 40' ' ' VAL . 10.5 mt -106.19 110.81 23.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -98.63 110.74 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.597 HD23 HG22 ' A' ' 40' ' ' VAL . 4.9 mp -96.87 154.4 17.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -149.09 143.08 25.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -73.51 -39.16 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.91 107.33 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.3 tttt -38.42 -48.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -59.98 132.24 53.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 67.17 49.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . 14.6 pt20 -97.56 20.73 11.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.3 p -52.84 -57.68 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 p -75.44 157.82 84.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.554 0.692 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.2 Cg_endo -69.76 175.97 7.38 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' PRO . 10.8 m -34.31 107.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -41.49 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -95.79 -55.14 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 1.8 mp0 -54.42 176.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -123.46 152.59 65.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.35 53.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.56 ' CG2' HG21 ' A' ' 90' ' ' THR . 16.4 mt -111.7 131.33 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.1 p -85.18 109.88 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 45' ' ' HIS . 30.0 m -77.29 -23.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' VAL . 41.9 t30 -34.54 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 66.74 45.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -91.67 170.37 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.1 mt -125.99 102.66 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 39.6 mt -92.36 145.21 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 45.6 m-20 -163.29 125.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.4 mt -47.2 105.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ILE . 23.4 p -33.84 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.834 ' HE1' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -51.27 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.6 t -79.88 -34.55 39.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -40.55 -45.51 2.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.834 HG23 ' HE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -47.47 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -49.33 -47.52 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -60.65 163.51 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -108.83 173.19 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.43 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 47.68 51.18 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.438 ' CG1' HD22 ' A' ' 96' ' ' LEU . 87.8 t -117.16 124.45 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.541 ' CD1' ' HG2' ' A' ' 105' ' ' MET . 1.2 p90 -117.16 132.42 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -88.63 123.57 33.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.613 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.1 tt -120.37 128.21 53.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -113.28 123.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.613 ' CG2' HD21 ' A' ' 88' ' ' LEU . 36.6 p -108.76 148.0 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -43.63 -27.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.62 -72.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -142.78 177.67 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.57 154.8 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.96 163.49 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.438 HD22 ' CG1' ' A' ' 85' ' ' VAL . 14.0 mt -107.0 171.69 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 75.2 m-85 -152.62 134.56 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -121.48 135.69 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.8 173.44 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.2 -41.36 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -139.21 152.71 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -44.9 -65.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -40.86 -40.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.11 -48.24 76.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.541 ' HG2' ' CD1' ' A' ' 86' ' ' PHE . 15.6 tmm? -54.09 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.414 HD22 ' CE ' ' A' ' 105' ' ' MET . 4.6 mm? -53.42 -44.4 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 108' ' ' TRP . . . -51.66 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.817 ' CE2' HD11 ' A' ' 15' ' ' LEU . 49.0 m95 -36.51 -57.2 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.463 HD11 ' SD ' ' A' ' 105' ' ' MET . 88.4 mt -41.22 -58.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 22.8 ttmt -54.21 -69.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 11' ' ' LYS . 78.3 m -37.66 -62.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.463 HD11 ' HE3' ' A' ' 108' ' ' TRP . 16.6 mt -53.11 -57.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -47.0 -39.93 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.71 -48.09 80.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.2 m -63.18 -48.71 77.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 m -87.51 48.44 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -118.19 127.18 53.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.8 mt -78.64 138.42 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -119.25 158.7 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 t -46.25 160.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -172.35 151.78 15.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -18.91 36.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.5 m -128.11 141.3 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 m -104.37 -58.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -119.44 121.48 39.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -91.53 168.64 11.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.03 -59.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -68.16 163.67 22.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.903 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -136.09 128.55 30.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.75 -146.87 18.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.59 26.33 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -146.5 112.41 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -35.57 -45.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.672 ' HB2' HG21 ' A' ' 111' ' ' THR . 31.7 tttp -164.87 165.05 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' CD ' ' C ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -165.18 164.3 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.38 159.7 9.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.469 ' O ' HD23 ' A' ' 15' ' ' LEU . 93.6 m95 -67.82 110.11 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.88 HD11 ' CE2' ' A' ' 108' ' ' TRP . 33.3 mt -134.03 143.34 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -76.54 109.52 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.502 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.9 t80 -93.99 109.5 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -127.68 96.69 32.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.0 Cg_endo -69.76 141.35 45.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD12 ' CG ' ' A' ' 94' ' ' GLU . 46.2 mt -77.05 -47.35 20.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.06 146.5 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -124.27 -14.75 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -123.62 131.96 53.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -122.33 108.08 12.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.54 50.87 3.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -146.38 175.38 10.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.335 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -126.77 96.9 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.0 t -118.24 142.26 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.39 73.05 0.21 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.2 -176.02 18.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 m -117.59 157.34 26.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.2 mm -80.79 135.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.47 156.12 83.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.4 Cg_endo -69.74 165.23 31.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' PRO . 81.0 m95 -37.17 144.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -121.35 106.15 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -76.3 111.89 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.1 ptm -150.11 125.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.2 t80 -37.78 117.03 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG22 HD23 ' A' ' 49' ' ' LEU . 62.4 t -107.56 118.39 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.6 148.35 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 10' ' ' ALA . 61.0 tp -116.73 110.43 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -122.29 105.34 10.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.28 -106.92 2.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.37 12.66 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 m -124.88 138.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.616 HD12 HG11 ' A' ' 68' ' ' VAL . 10.9 mt -100.86 115.16 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -102.57 116.17 32.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.648 HD23 HG22 ' A' ' 40' ' ' VAL . 4.2 mp -98.9 159.14 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 40.3 m-85 -152.99 142.97 22.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -71.58 -38.92 70.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -117.35 162.53 17.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -109.95 34.19 4.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -108.23 -59.98 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -49.19 -66.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 45.46 40.69 5.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -118.54 -61.34 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 50' ' ' TYR . 3.3 p -76.74 156.86 82.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -29.56 23.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.738 2.292 . . . . 0.0 112.365 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 p -175.14 125.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.55 -70.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -103.97 -56.82 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -56.57 176.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -124.57 153.3 69.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 142.72 48.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.536 ' CG2' HG21 ' A' ' 90' ' ' THR . 11.8 mt -109.92 115.74 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -63.53 103.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.616 HG11 HD12 ' A' ' 47' ' ' LEU . 5.2 m -92.89 23.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.28 -49.23 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.45 65.83 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -96.55 150.6 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.49 105.66 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.497 HG21 HG23 ' A' ' 109' ' ' ILE . 37.4 mt -89.41 143.04 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -161.57 117.82 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 59.8 mt -38.25 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' ILE . 53.6 p -36.29 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.46 163.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -105.73 48.73 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.7 -57.63 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -44.84 141.72 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HE2' ' C ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.06 50.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.409 ' NH2' ' OE1' ' A' ' 98' ' ' GLN . 19.7 mtp85 -138.89 138.48 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -109.54 153.6 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.61 41.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.507 HG22 ' HG3' ' A' ' 98' ' ' GLN . 60.4 t -120.96 131.03 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.466 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.5 p90 -124.34 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.66 ' HA ' HD23 ' A' ' 96' ' ' LEU . 41.4 ttp180 -92.77 133.51 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.653 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.0 tt -126.22 137.09 53.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -125.23 122.98 38.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.653 ' CG2' HD21 ' A' ' 88' ' ' LEU . 19.1 p -112.49 144.58 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.7 t -37.7 -35.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.36 -69.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.7 m -147.26 177.06 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.489 ' CG ' HD12 ' A' ' 20' ' ' LEU . 17.2 tt0 -106.87 153.86 21.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 17' ' ' PHE . 45.3 t -163.96 162.3 23.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 87' ' ' ARG . 38.7 mt -111.97 169.81 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -151.26 136.04 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.507 ' HG3' HG22 ' A' ' 85' ' ' VAL . 60.8 tt0 -117.1 155.99 28.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.8 -178.31 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.42 -43.5 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -136.72 151.32 49.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.454 ' O ' HD23 ' A' ' 106' ' ' LEU . 26.0 ttt85 -41.75 -58.41 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.81 -52.34 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -57.19 -42.8 81.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -61.47 -50.65 71.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.1 mm? -56.44 -43.32 79.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.25 -69.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.88 ' CE2' HD11 ' A' ' 15' ' ' LEU . 26.3 m95 -38.3 -56.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.497 HG23 HG21 ' A' ' 73' ' ' ILE . 73.0 mt -42.55 -56.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -56.68 -59.93 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.672 HG21 ' HB2' ' A' ' 11' ' ' LYS . 94.9 m -43.15 -59.23 2.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.425 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.9 mt -57.68 -55.04 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -50.12 -34.42 22.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -72.9 -49.34 30.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -58.39 -37.69 75.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.8 p -73.94 -49.63 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -49.08 173.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.75 163.61 17.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.39 88.77 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.6 t -172.63 128.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -58.24 -89.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 149.47 67.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.1 p -76.59 120.09 21.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.0 m -108.4 157.28 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.45 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 p -119.91 -52.24 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -91.83 -53.0 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.81 -115.42 3.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -121.99 168.66 11.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -97.64 42.05 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.39 -166.18 13.59 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -97.06 22.48 8.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -138.5 114.34 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.4 -45.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 30.5 tttp -160.0 152.5 21.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -150.76 150.82 31.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.07 157.02 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.531 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.777 ' O ' HD23 ' A' ' 15' ' ' LEU . 91.0 m95 -67.65 132.45 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.932 HD11 ' CE2' ' A' ' 108' ' ' TRP . 30.8 mt -151.67 144.23 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -79.12 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.4 t80 -94.22 111.69 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 18.2 ttp180 -126.42 96.3 36.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.552 HD13 ' CD ' ' A' ' 94' ' ' GLU . 8.1 mp -82.67 -71.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 p -133.82 141.06 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.0 p -127.37 -42.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.43 105.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -88.21 137.5 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.3 44.88 63.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -153.81 119.9 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -105.16 50.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.9 m -108.29 -12.66 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.96 -90.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.536 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.48 -167.55 31.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.6 m -84.2 158.61 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.885 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 32' ' ' ILE . 4.8 mp -108.98 149.72 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -100.22 144.59 28.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 160.62 49.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.501 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 93.3 m95 -40.8 133.32 2.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -106.83 94.48 5.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -73.37 107.24 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.512 ' HG3' HD23 ' A' ' 49' ' ' LEU . 13.3 ptm -147.74 137.65 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' TYR . 10.8 t80 -48.68 112.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.537 HG22 ' CD2' ' A' ' 49' ' ' LEU . 75.4 t -100.79 123.97 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.34 135.75 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -106.39 114.15 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -125.98 101.55 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.58 -103.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -125.02 9.31 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 m -119.44 145.11 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -108.13 107.55 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -99.07 112.09 24.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.537 ' CD2' HG22 ' A' ' 40' ' ' VAL . 5.0 mp -93.0 166.68 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 49' ' ' LEU . 50.1 m-85 -151.33 139.26 19.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -65.07 -40.14 94.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.07 176.16 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -93.37 17.29 11.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.1 ttt85 -58.36 163.52 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 54' ' ' ARG . 8.6 mm-40 -31.67 124.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -83.72 24.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.9 p -74.17 -39.48 63.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.4 p -81.91 153.61 69.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.562 0.696 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' SER . 53.8 Cg_endo -69.74 177.6 5.41 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.745 2.297 . . . . 0.0 112.352 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 59' ' ' PRO . 2.7 p -39.52 160.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -106.38 96.98 6.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 49.26 25.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.0 117.79 18.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -64.82 148.74 97.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 158.5 56.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.882 HG22 HG21 ' A' ' 90' ' ' THR . 57.4 mt -117.6 98.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 t -63.48 108.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ASN . 22.2 m -81.12 -22.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -36.85 109.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 72.16 48.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.441 ' C ' HD12 ' A' ' 72' ' ' LEU . 29.7 p -98.81 174.19 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD12 ' C ' ' A' ' 71' ' ' CYS . 7.5 mp -126.42 102.06 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.6 mt -93.08 139.75 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 9.6 m-20 -158.81 117.64 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 83.4 mt -39.32 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' ASP . 8.4 t -36.57 154.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.437 ' O ' HG22 ' A' ' 80' ' ' THR . 14.3 p90 -48.7 146.39 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 79' ' ' GLU . 80.8 p -80.2 -29.4 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.7 mm-40 -34.61 -42.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 77' ' ' TYR . 10.0 t -61.65 138.54 58.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -56.21 -43.04 78.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -55.03 144.23 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.69 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.7 ptpt -110.42 -179.89 3.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 36.9 50.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 83' ' ' LYS . 54.6 t -113.85 118.87 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.1 p90 -107.45 134.19 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.645 ' HA ' HD23 ' A' ' 96' ' ' LEU . 40.9 ttp180 -91.95 119.41 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.487 HD21 HG23 ' A' ' 90' ' ' THR . 2.1 tt -114.76 132.25 56.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 m -119.87 125.73 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.882 HG21 HG22 ' A' ' 66' ' ' ILE . 41.5 p -109.98 145.51 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.7 p -45.96 -22.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.18 -63.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.1 m -146.16 174.98 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.552 ' CD ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -111.44 151.65 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.501 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 8.5 p -163.68 170.58 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 87' ' ' ARG . 26.9 mt -119.45 169.47 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.3 m-85 -150.74 141.31 22.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.654 ' HB2' HG22 ' A' ' 85' ' ' VAL . 60.2 tt0 -129.43 138.83 51.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.61 172.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 100' ' ' GLU . 1.1 mp0 -77.63 -49.18 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' ARG . 6.0 m-20 -134.91 147.6 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 101' ' ' ASP . 34.9 ttt180 -35.12 -61.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.35 -44.99 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.47 ' SD ' HD12 ' A' ' 109' ' ' ILE . 16.4 tmm? -50.48 -56.85 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.416 HD12 ' SD ' ' A' ' 105' ' ' MET . 4.8 mp -55.56 -44.53 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.37 -44.3 23.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.932 ' CE2' HD11 ' A' ' 15' ' ' LEU . 34.8 m95 -67.78 -57.73 5.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.47 HD12 ' SD ' ' A' ' 105' ' ' MET . 78.4 mt -45.3 -48.31 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -62.74 -67.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 11' ' ' LYS . 99.7 m -42.56 -55.74 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.7 mt -57.31 -53.59 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -52.09 -36.62 51.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.17 -49.28 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 m -58.3 -53.89 53.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.7 p -57.53 -46.93 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -40.56 133.87 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.26 48.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -129.01 104.95 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.0 p -133.82 177.29 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -119.69 -106.7 2.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 122.7 9.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.3 m -92.02 -54.0 4.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 m -116.54 109.15 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.435 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -127.39 -58.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.822 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -132.84 157.99 43.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.43 117.94 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -175.0 156.47 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t -87.25 -46.69 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.38 -168.41 23.8 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.426 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.44 1.12 50.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -162.13 112.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.42 -54.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.9 tttp -142.89 163.29 33.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -164.73 159.46 18.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.07 164.44 12.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.52 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 80.0 m95 -74.7 123.88 25.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' A' ' 108' ' ' TRP . 73.5 mt -145.63 146.38 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -80.01 109.34 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CD1' ' SG ' ' A' ' 95' ' ' CYS . 15.2 t80 -94.17 110.9 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 23.5 ttt180 -125.15 99.45 34.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.74 142.75 48.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 2.244 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 94' ' ' GLU . 72.2 mt -88.94 -51.72 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.14 83.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -118.64 -36.5 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.183 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' OD2' HG21 ' A' ' 28' ' ' VAL . 84.1 m-20 -121.72 45.44 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -36.68 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.88 79.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -143.64 166.71 24.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -115.94 43.15 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.427 HG21 ' OD2' ' A' ' 23' ' ' ASP . 34.5 m -91.36 134.14 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' GLY . . . 41.02 50.24 4.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . . . 38.39 -140.6 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.468 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.1 m -46.55 171.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.5 mt -87.76 132.43 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.2 mmt-85 -89.99 153.75 47.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.6 Cg_endo -69.8 -171.05 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.585 ' HH2' HG21 ' A' ' 85' ' ' VAL . 56.0 m95 -37.67 143.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -121.69 106.92 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -73.1 113.92 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.441 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.0 ptm -154.0 126.83 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 13.3 t80 -41.83 115.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 38' ' ' MET . 81.0 t -104.45 123.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.6 t -118.76 141.2 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.05 108.34 19.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 13.3 mtp-105 -122.52 105.33 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.62 -110.43 3.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -122.26 11.78 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.76 145.19 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -102.92 107.36 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -92.41 115.07 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 38' ' ' MET . 5.2 mp -97.18 163.74 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -154.29 139.44 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -22.31 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.94 134.44 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 8.0 tmtt? -94.97 -14.68 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -44.68 -51.4 9.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -150.1 131.09 14.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -113.82 28.0 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -50.85 -29.95 13.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 p -113.32 155.86 43.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' SER . 53.7 Cg_endo -69.78 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.304 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' PRO . 27.6 p -35.51 139.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -90.5 -56.92 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -121.11 -36.83 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.23 173.16 10.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -121.47 150.8 55.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 144.45 54.28 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.3 mt -119.85 123.98 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -77.43 104.73 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.8 m -71.26 -19.97 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.3 t-20 -39.06 112.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 71.92 47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.559 ' C ' HD12 ' A' ' 72' ' ' LEU . 7.6 p -98.23 170.3 8.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 71' ' ' CYS . 7.6 mp -130.72 102.49 6.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.534 HG21 HG23 ' A' ' 109' ' ' ILE . 38.6 mt -92.59 147.66 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -162.74 126.31 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' SER . 58.9 mt -45.8 103.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.71 ' OG ' HD22 ' A' ' 96' ' ' LEU . 24.1 m -35.24 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -45.9 163.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -101.64 55.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -134.25 -33.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 82' ' ' ARG . 14.1 t -56.17 157.96 4.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 25.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.596 ' H ' HG23 ' A' ' 80' ' ' THR . 26.8 mtp85 -129.71 127.04 39.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -98.23 155.53 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.2 27.08 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 76' ' ' SER . 9.1 p -101.68 127.26 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -111.68 138.68 47.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.686 ' HA ' HD23 ' A' ' 96' ' ' LEU . 33.6 ttp180 -93.56 121.93 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.659 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.0 OUTLIER -115.1 136.48 53.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.788 HG23 ' HG3' ' A' ' 94' ' ' GLU . 8.1 m -120.65 128.37 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.659 ' CG2' HD21 ' A' ' 88' ' ' LEU . 16.9 p -119.89 155.8 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -55.57 -18.58 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -85.69 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.4 m -152.86 169.37 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.788 ' HG3' HG23 ' A' ' 89' ' ' THR . 12.1 mt-10 -95.45 155.27 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.588 ' SG ' ' CD1' ' A' ' 17' ' ' PHE . 48.1 t -167.65 162.27 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.71 HD22 ' OG ' ' A' ' 76' ' ' SER . 43.7 mt -117.34 168.61 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -151.51 122.48 7.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -95.93 141.95 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -116.02 150.59 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.59 -65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -121.94 155.45 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 106' ' ' LEU . 36.8 ttt85 -42.64 -64.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.3 m-20 -34.22 -61.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -45.94 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.511 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 14.0 tmm? -52.86 -59.86 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.478 ' CD2' ' HG2' ' A' ' 102' ' ' ARG . 3.8 mm? -51.94 -51.18 58.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.745 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.8 m95 -46.89 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 73' ' ' ILE . 61.1 mt -42.6 -51.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -56.13 -64.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 11' ' ' LYS . 59.1 m -43.6 -61.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.6 mt -54.75 -63.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -40.47 -42.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -65.45 -48.58 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.7 m -58.76 -37.52 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.9 p -77.77 -12.69 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -94.26 119.78 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.2 mt -67.21 92.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -126.93 161.5 28.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 m -99.47 139.76 34.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 45.9 81.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -15.97 37.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 90.9 p -87.35 -47.65 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.0 t -64.85 -62.72 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -75.58 115.99 15.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -84.9 128.6 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.75 -146.52 4.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 m 61.39 43.67 10.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -97.18 113.82 25.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.8 164.48 12.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -68.55 172.63 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -55.44 113.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -35.87 -46.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.67 ' HB2' HG21 ' A' ' 111' ' ' THR . 32.3 tttp -157.64 165.12 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -162.22 148.04 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.44 157.66 9.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 84.1 m95 -67.71 120.71 14.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' CE2' ' A' ' 108' ' ' TRP . 13.9 mt -141.86 150.37 41.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -86.52 104.46 16.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -94.21 111.48 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -122.18 97.25 45.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 136.56 33.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.718 HD12 ' CD ' ' A' ' 94' ' ' GLU . 88.2 mt -84.02 -50.15 8.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.89 136.39 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.4 p -112.49 -40.26 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -127.64 167.05 16.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -75.44 -67.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.16 66.68 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -100.4 -73.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -126.81 56.65 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 m -118.96 149.95 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.87 -106.0 1.85 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.93 -66.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 32' ' ' ILE . 10.3 m -67.78 -174.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -167.21 143.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -68.37 152.85 96.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.2 Cg_endo -69.82 -179.36 2.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.734 ' CH2' HD13 ' A' ' 96' ' ' LEU . 59.0 m95 -35.01 143.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -112.96 114.99 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.89 108.28 15.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.2 ptm -150.02 138.39 20.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' TYR . 31.8 t80 -54.73 112.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.566 ' HB ' HD12 ' A' ' 15' ' ' LEU . 71.0 t -97.2 122.39 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG22 ' CE2' ' A' ' 39' ' ' TYR . 48.9 t -119.54 128.96 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 10' ' ' ALA . 20.9 tp -98.86 109.98 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -119.64 117.75 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.53 -106.38 1.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -123.97 14.0 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m -126.39 146.14 50.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.79 114.91 29.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -105.57 104.83 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 49' ' ' LEU . 2.4 mp -90.84 168.02 12.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.54 ' CE1' ' HA ' ' A' ' 60' ' ' SER . 93.8 m-85 -157.61 133.78 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -51.45 -45.97 62.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.88 154.98 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 tttm -85.52 30.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -66.6 -44.57 81.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -150.29 147.26 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' THR . 9.7 mt-30 -108.79 -51.46 2.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' GLN . 38.9 m -35.09 -56.48 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -52.56 153.73 5.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.57 0.7 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 156.4 63.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.54 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.4 m -49.39 179.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 24.3 mt-10 -103.69 96.06 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 41.18 25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.5 mm-40 -122.99 107.14 11.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 152.77 85.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.29 57.4 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.328 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.795 HG22 HG21 ' A' ' 90' ' ' THR . 50.8 mt -117.05 98.42 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -53.26 120.21 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ASN . 15.3 m -104.03 -10.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -34.59 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.71 62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.507 ' HB3' HG22 ' A' ' 90' ' ' THR . 20.5 p -111.86 175.5 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.09 110.93 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.504 HD11 ' HB ' ' A' ' 112' ' ' ILE . 42.4 mt -87.52 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -163.23 122.38 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 76' ' ' SER . 63.2 mt -41.11 102.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.6 ' OG ' HG13 ' A' ' 85' ' ' VAL . 1.5 p -31.4 144.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.82 126.15 11.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -45.7 -24.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -39.96 -53.86 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.2 t -57.93 151.91 17.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -84.62 -36.84 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.43 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 59.2 mtt-85 -44.57 126.69 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -92.89 150.31 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 62.45 45.2 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.6 HG13 ' OG ' ' A' ' 76' ' ' SER . 7.4 p -113.8 136.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.481 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.3 p90 -123.78 132.92 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.632 ' HA ' HD23 ' A' ' 96' ' ' LEU . 61.0 ttp85 -90.61 120.95 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.655 HD21 HG23 ' A' ' 90' ' ' THR . 1.5 tt -111.89 134.82 53.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 60.4 m -125.86 120.58 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.795 HG21 HG22 ' A' ' 66' ' ' ILE . 34.9 p -107.75 140.91 40.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 t -43.08 -30.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -55.77 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -154.09 176.8 11.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.718 ' CD ' HD12 ' A' ' 20' ' ' LEU . 1.1 tm-20 -113.71 151.57 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.498 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 29.8 p -167.7 155.65 8.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.734 HD13 ' CH2' ' A' ' 35' ' ' TRP . 21.0 mt -102.0 170.21 8.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.558 ' HE2' HD22 ' A' ' 88' ' ' LEU . 58.4 m-85 -154.08 125.38 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.43 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 41.4 tt0 -114.05 140.7 48.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -108.31 -177.79 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -98.24 -62.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.0 139.32 38.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -42.78 -57.25 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.28 -46.5 35.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -58.78 -44.7 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 13.5 tmm? -56.79 -55.03 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 106' ' ' LEU . 3.5 mm? -52.62 -39.9 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -55.74 31.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.718 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.8 m95 -49.2 -51.11 34.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.451 ' HA ' HD13 ' A' ' 73' ' ' ILE . 96.6 mt -48.4 -54.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -60.16 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.67 HG21 ' HB2' ' A' ' 11' ' ' LYS . 85.2 m -40.35 -63.13 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.504 ' HB ' HD11 ' A' ' 73' ' ' ILE . 15.7 mt -56.76 -59.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -42.49 -37.39 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.66 -50.28 45.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.7 p -54.56 -36.31 64.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.5 p -79.29 -30.7 43.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -65.88 154.22 39.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.611 ' H ' HD23 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -92.66 40.81 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 100.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.6 t -136.11 135.9 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.09 -95.36 0.98 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 113.24 3.32 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.0 m -90.31 -61.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 t -95.55 131.89 41.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -137.43 125.72 23.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -133.62 106.11 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.79 98.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.5 p -61.17 144.48 53.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -66.1 172.35 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.32 -153.28 24.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.37 161.19 15.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.31 128.33 35.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.18 81.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.546 ' HB2' HG21 ' A' ' 111' ' ' THR . 35.2 tttp -150.68 165.23 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -160.53 144.79 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.72 157.91 12.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -75.57 122.93 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.839 HD11 ' CE2' ' A' ' 108' ' ' TRP . 22.1 mt -143.54 149.33 37.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -78.69 110.87 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -94.19 116.24 28.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 36.8 ttp85 -134.32 96.15 15.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.75 141.63 45.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.63 -50.91 18.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 p -169.02 138.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.5 p -107.25 -41.05 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.86 90.5 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -72.07 -54.62 9.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.4 -45.57 52.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.56 155.07 29.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.307 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -78.98 124.28 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.1 t -141.29 118.43 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.14 -172.41 1.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' SER . . . -64.29 141.58 44.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -38.0 111.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.4 mp -35.3 -51.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -127.02 156.32 74.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.6 Cg_endo -69.77 -164.94 0.14 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 82.9 m95 -34.15 133.5 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -107.29 102.52 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -75.94 108.56 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.2 ptm -147.1 136.74 22.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' TYR . 19.5 t80 -48.36 111.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 47' ' ' LEU . 81.4 t -100.27 122.5 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -112.54 137.81 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.8 112.33 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HD3' ' CD2' ' A' ' 48' ' ' TYR . 65.6 mtp180 -121.15 99.72 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.09 -97.18 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -124.83 11.71 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.8 m -121.56 144.58 48.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.452 HD22 ' CG1' ' A' ' 40' ' ' VAL . 9.6 mt -115.28 108.12 16.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 43' ' ' ARG . 83.3 m-85 -95.51 114.72 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 49' ' ' LEU . 3.7 mp -95.55 157.99 15.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' TYR . 81.5 m-85 -154.35 134.55 13.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -60.66 -41.83 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -133.58 129.3 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.458 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 64.6 tttt -74.94 -44.1 50.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' LYS . 38.5 mtm180 -35.72 -38.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -155.23 129.81 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -84.12 36.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' THR . 9.9 t -94.67 -22.68 17.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 51.2 p -33.99 150.95 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.573 0.702 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -29.02 24.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -79.68 -10.64 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -50.71 -24.92 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.4 mm-40 -59.32 -31.64 69.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -32.53 110.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -61.57 150.77 80.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 164.8 33.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.618 2.212 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.79 HG22 HG21 ' A' ' 90' ' ' THR . 45.1 mt -115.09 102.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 p -54.71 107.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' ASN . 23.2 m -78.93 -21.56 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 6.3 t30 -37.66 115.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 70.92 44.3 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.3 p -95.81 -178.77 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mt -142.85 110.52 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.479 HG21 HG23 ' A' ' 109' ' ' ILE . 33.6 mt -97.6 144.4 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 17.5 m-20 -163.12 118.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.9 mt -42.24 99.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' ILE . 27.0 t -35.69 149.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 27.7 p90 -36.48 142.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.7 m -87.89 51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -45.09 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.409 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 5.2 t -52.93 121.19 6.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -38.46 -38.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 133.63 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 2.8 mppt? -100.24 171.95 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER 46.03 50.25 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.38 121.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -115.93 130.55 56.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -90.76 124.78 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.676 HD21 HG23 ' A' ' 90' ' ' THR . 0.9 OUTLIER -118.69 133.44 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.0 m -118.62 123.84 45.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.79 HG21 HG22 ' A' ' 66' ' ' ILE . 57.5 p -107.93 140.49 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.6 t -40.28 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' THR . 34.1 t0 -82.51 -61.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.3 m -149.93 176.62 10.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -112.55 144.69 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.445 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 27.1 m -151.59 178.94 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.403 ' CD1' HH21 ' A' ' 18' ' ' ARG . 6.1 mt -124.9 165.81 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 65.8 m-85 -151.14 147.87 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.33 146.11 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.74 172.68 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.25 -42.92 35.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -142.37 152.56 42.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -39.23 -62.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.55 -54.2 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -59.22 -42.5 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.438 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 16.2 tmm? -54.81 -55.38 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.42 ' CD1' ' CE ' ' A' ' 105' ' ' MET . 3.3 mp -57.43 -49.47 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.26 -42.09 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.839 ' CE2' HD11 ' A' ' 15' ' ' LEU . 41.7 m95 -68.05 -58.26 4.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.479 HG23 HG21 ' A' ' 73' ' ' ILE . 95.3 mt -45.1 -48.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -59.52 -67.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.546 HG21 ' HB2' ' A' ' 11' ' ' LYS . 89.6 m -41.42 -61.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.527 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.2 mt -52.99 -64.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -41.13 -41.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.88 -46.96 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m -57.93 -42.89 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.39 43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -133.16 115.86 15.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.9 mt -47.02 124.43 6.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 120' ' ' SER . 43.2 t-20 -104.02 84.51 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ASN . 50.5 p -37.61 -48.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -164.78 145.85 10.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 100.15 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.1 m -61.55 -50.96 70.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.7 p -127.74 131.68 49.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -79.78 -47.13 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -98.55 -56.83 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.44 -146.56 13.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -160.89 173.45 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -125.83 136.01 52.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.45 -55.81 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -47.78 107.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 8' ' ' ASP . . . -34.1 120.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.21 -49.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.522 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -158.65 154.5 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.62 153.57 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.6 148.49 5.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.479 ' O ' HD23 ' A' ' 15' ' ' LEU . 81.3 m95 -67.62 120.93 14.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 108' ' ' TRP . 14.5 mt -139.86 148.32 41.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.24 109.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -94.26 107.95 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 55.1 ttt180 -118.67 98.88 51.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 141.59 45.68 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.526 HD12 ' CG ' ' A' ' 94' ' ' GLU . 51.5 mt -84.42 -49.57 8.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.75 162.65 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -135.04 -51.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -47.23 156.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -57.63 7.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.42 90.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -145.04 171.03 15.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -125.48 46.99 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.9 m -83.93 144.4 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.29 108.72 2.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.07 -158.54 14.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.2 m 57.27 47.34 17.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -140.21 148.66 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -106.04 152.59 40.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.7 Cg_endo -69.74 -178.35 2.3 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.527 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 69.6 m95 -37.01 150.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -131.63 93.38 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -61.71 111.83 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.45 ' CE ' ' HB3' ' A' ' 49' ' ' LEU . 19.4 ptm -153.48 132.25 12.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.5 t80 -46.05 116.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.519 ' CG1' HD22 ' A' ' 47' ' ' LEU . 53.7 t -107.03 121.1 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.51 135.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 tp -103.72 116.95 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -131.54 100.73 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.25 -107.22 2.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 68' ' ' VAL . 21.0 m80 -127.0 11.86 7.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -127.67 142.5 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD22 ' CG1' ' A' ' 40' ' ' VAL . 12.4 mt -100.73 119.8 39.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -103.18 102.85 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 38' ' ' MET . 4.6 mp -85.73 153.85 22.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -72.17 -25.91 61.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -146.42 130.26 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 36.4 tttt -84.09 41.6 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -98.62 -69.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 57' ' ' THR . 22.4 pm0 -67.15 -31.19 71.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.516 ' C ' ' O ' ' A' ' 55' ' ' GLU . 35.6 mt-30 27.96 44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 55' ' ' GLU . 2.4 p -115.23 -74.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 p -52.16 153.63 4.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.55 0.691 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -20.84 34.2 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 p -174.15 143.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.86 -46.23 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -130.89 -60.78 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -60.53 -176.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -128.07 153.19 78.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 142.42 48.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.376 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.683 ' CG2' HG21 ' A' ' 90' ' ' THR . 12.1 mt -112.2 124.87 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 p -75.21 99.18 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' HIS . 13.6 m -71.97 -17.89 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.9 t30 -41.23 111.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.09 45.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -93.27 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -129.75 103.13 6.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 109' ' ' ILE . 40.8 mt -93.22 143.88 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -162.31 123.63 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' SER . 62.6 mt -42.22 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.491 ' OG ' HG12 ' A' ' 85' ' ' VAL . 3.4 m -36.84 155.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CD1' ' OG1' ' A' ' 80' ' ' THR . 9.1 p90 -50.06 179.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -91.39 -32.53 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.64 53.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.498 HG22 ' HD2' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -116.9 -4.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 tttt 50.17 26.39 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HB2' HG21 ' A' ' 85' ' ' VAL . 51.5 mtt85 -138.86 138.04 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -98.3 153.09 18.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 0.9 OUTLIER 60.38 38.62 19.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' A' ' 82' ' ' ARG . 71.2 t -107.17 137.01 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -129.15 139.52 51.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -91.41 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 90' ' ' THR . 2.5 tt -130.82 135.55 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.6 m -127.52 120.82 29.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.683 HG21 ' CG2' ' A' ' 66' ' ' ILE . 21.7 p -104.27 163.17 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 m -55.79 -33.54 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.93 -61.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 71.6 m -153.5 176.98 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.526 ' CG ' HD12 ' A' ' 20' ' ' LEU . 60.3 tt0 -111.18 160.39 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.7 p -163.24 175.79 10.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.5 mt -119.34 164.34 15.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.8 m-85 -150.53 140.79 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.565 ' HB2' HG22 ' A' ' 85' ' ' VAL . 36.8 tt0 -128.76 138.37 52.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.44 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -85.05 -36.09 21.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -141.04 153.25 45.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.577 ' O ' HD23 ' A' ' 106' ' ' LEU . 25.6 ttm180 -49.05 -49.26 42.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -54.86 -43.51 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.76 -43.72 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 10.1 ttp -58.62 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.3 mm? -52.26 -41.58 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.65 88.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.752 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.1 m95 -65.16 -54.22 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 73' ' ' ILE . 89.8 mt -48.07 -52.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.58 -61.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 11' ' ' LYS . 86.4 m -40.59 -57.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.27 -55.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -49.76 -32.34 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.91 -49.0 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -59.72 -46.53 88.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.7 p -64.55 -50.67 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -72.13 115.42 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 118' ' ' LEU . 5.5 mp -59.54 -46.44 88.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -62.08 106.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.3 p -88.63 42.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.59 -171.82 23.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 123' ' ' SER . 53.9 Cg_endo -69.76 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.373 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 122' ' ' PRO . 71.1 p -34.09 116.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.3 t -66.64 -53.12 37.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -139.61 127.78 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.393 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -121.26 84.6 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.96 -111.34 2.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -87.99 133.18 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -61.96 -49.39 76.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.7 57.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -124.1 151.33 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.92 112.55 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.56 -45.03 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -161.9 159.21 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' HB2' HG22 ' A' ' 41' ' ' VAL . 20.8 pt-20 -156.43 156.89 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.49 165.42 15.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -76.49 124.01 26.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 108' ' ' TRP . 11.8 mt -142.21 153.53 44.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.434 ' CE1' ' CD ' ' A' ' 37' ' ' GLN . 35.5 m80 -88.36 108.99 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -95.26 115.38 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.543 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 26.6 ttt180 -124.43 100.24 35.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.59 0.71 . . . . 0.0 110.808 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 53.5 Cg_endo -69.79 138.37 37.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 94' ' ' GLU . 9.1 mp -76.65 -54.7 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -136.8 135.52 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -117.9 -36.78 3.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' OD1' HG22 ' A' ' 28' ' ' VAL . 1.2 p-10 -75.34 176.88 7.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -89.98 -62.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -144.91 54.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 28' ' ' VAL . 20.2 mmtt -117.44 165.72 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 103.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.46 HG22 ' OD1' ' A' ' 23' ' ' ASP . 95.4 t -100.44 112.35 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.2 116.44 0.73 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.63 -35.19 2.87 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.79 15.14 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mm -125.7 145.66 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.16 149.66 89.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.7 Cg_endo -69.73 -170.03 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.552 ' NE1' ' NH2' ' A' ' 82' ' ' ARG . 49.4 m95 -35.19 152.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -124.45 91.91 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.434 ' CD ' ' CE1' ' A' ' 16' ' ' HIS . 27.6 tt0 -64.46 111.68 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.503 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.6 ptm -156.79 132.92 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CZ ' ' HD3' ' A' ' 53' ' ' LYS . 10.7 t80 -46.37 112.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.52 ' HB ' HD12 ' A' ' 15' ' ' LEU . 95.5 t -103.47 127.15 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.461 HG22 ' HB2' ' A' ' 12' ' ' GLU . 95.3 t -120.82 136.46 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -104.75 108.02 19.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -120.55 104.12 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.78 -105.66 1.85 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -125.99 14.08 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -124.03 138.91 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.91 106.36 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 46.2 m-85 -93.02 113.1 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -94.0 151.12 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 56.1 m-85 -148.24 138.68 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.46 -36.12 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -119.68 154.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 14.0 tptp -82.51 -30.31 29.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -50.6 -177.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ARG . 18.6 mt-10 -33.98 146.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' HG3' ' CE1' ' A' ' 50' ' ' TYR . 8.5 mp0 -75.7 56.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 p -129.11 61.72 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.67 159.42 33.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.691 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -33.67 16.28 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.4 p -70.25 -19.19 63.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -42.97 -34.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.95 -39.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -42.85 103.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -52.04 151.18 6.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.702 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.458 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.7 Cg_endo -69.77 155.19 66.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.68 HG22 HG21 ' A' ' 90' ' ' THR . 50.7 mt -110.16 106.37 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 m -62.73 110.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' ASN . 30.6 m -81.22 -23.31 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.526 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 12.9 t-20 -37.36 115.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.04 42.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.5 p -95.58 170.59 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.2 mt -130.03 106.8 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.467 HD12 ' HG3' ' A' ' 113' ' ' GLN . 41.1 mt -93.3 149.71 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -161.4 130.44 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.0 mt -52.8 102.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.504 ' HB2' HG13 ' A' ' 85' ' ' VAL . 24.4 m -31.91 138.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -37.13 131.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -75.86 46.68 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -119.6 -43.13 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' ARG . 4.9 t -46.52 168.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' ARG . 11.8 ptmt -78.11 -47.95 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.552 ' NH2' ' NE1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -66.0 148.08 52.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -110.7 -174.56 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.452 ' C ' ' SD ' ' A' ' 105' ' ' MET . 2.9 m-80 44.18 25.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.539 HG21 ' HH2' ' A' ' 35' ' ' TRP . 5.0 p -98.06 124.78 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 1.4 p90 -111.49 155.7 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -109.38 153.23 24.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.722 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.4 tt -144.11 141.13 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.477 HG23 ' HG3' ' A' ' 94' ' ' GLU . 95.3 m -126.49 123.82 38.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.722 ' CG2' HD21 ' A' ' 88' ' ' LEU . 29.0 p -115.38 145.49 42.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -45.38 -22.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.83 -69.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 23.5 m -147.65 175.58 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.48 ' HB3' HD13 ' A' ' 20' ' ' LEU . 5.4 mp0 -105.25 155.44 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 31.5 p -168.07 176.02 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 75.7 mt -123.18 168.49 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.441 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 75.4 m-85 -151.08 127.93 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.493 ' NE2' ' HB2' ' A' ' 82' ' ' ARG . 33.4 tt0 -114.37 143.1 45.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -109.38 169.78 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.8 pt-20 -76.84 -46.61 24.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 6.1 t0 -131.43 158.99 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -49.19 -57.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -48.96 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -33.75 62.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.573 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 58.0 ttp -71.88 -54.78 8.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -48.38 -37.6 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.65 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.7 ' CE2' HD11 ' A' ' 15' ' ' LEU . 35.1 m95 -55.77 -54.23 46.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -47.59 -60.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -53.82 -62.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -42.69 -62.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.521 HD11 ' HE3' ' A' ' 108' ' ' TRP . 21.6 mt -54.81 -61.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.467 ' HG3' HD12 ' A' ' 73' ' ' ILE . 28.2 mt-30 -44.33 -37.97 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -68.47 -50.25 53.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.5 m -54.21 -47.2 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.7 p -62.02 -44.44 96.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -61.63 169.56 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.582 ' H ' HD23 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -84.16 161.77 20.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -134.09 112.7 11.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -156.93 163.31 39.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.79 145.98 12.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 118.6 5.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.7 t -119.03 128.75 54.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 t -136.77 141.07 42.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -100.53 144.71 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -80.56 165.74 21.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.85 40.1 2.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -125.36 105.13 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -136.4 132.11 35.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.88 -107.53 0.54 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -53.18 135.68 37.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.13 109.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.18 -44.0 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB2' HG21 ' A' ' 111' ' ' THR . 18.9 tttp -161.9 163.34 29.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -161.96 156.24 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.7 16.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.788 ' O ' HD23 ' A' ' 15' ' ' LEU . 97.4 m95 -70.97 132.22 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 14' ' ' TRP . 26.5 mt -153.33 155.95 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -91.33 106.48 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.18 110.69 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 56.8 ttt180 -124.74 95.69 42.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 53.8 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.86 -56.66 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.07 150.27 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -128.67 -28.04 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -116.36 156.97 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -109.31 97.78 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.86 69.61 1.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.56 120.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -86.33 130.39 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -119.6 -12.63 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.66 -143.92 4.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.31 -87.18 1.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.4 p -89.03 141.3 28.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.8 mt -65.32 148.27 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -72.83 152.13 91.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.74 6.35 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.483 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 72.9 m95 -49.34 157.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -131.32 95.42 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.956 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -70.56 113.02 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.489 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.9 ptm -153.8 127.02 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 6.5 t80 -36.67 115.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 38' ' ' MET . 98.1 t -106.7 121.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.86 141.69 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.482 HD22 HG12 ' A' ' 112' ' ' ILE . 28.0 tp -116.61 113.03 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -123.88 94.89 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.45 -99.86 1.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.04 14.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -123.22 133.1 54.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' ' 40' ' ' VAL . 12.3 mt -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -108.25 109.32 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD23 ' HG3' ' A' ' 38' ' ' MET . 5.2 mp -92.67 161.6 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -150.82 138.94 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 8.2 ptpp? -66.21 -31.83 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 22.7 p-10 -145.67 124.7 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 29.5 pttt -68.4 -3.43 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' HB2' ' NH1' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -51.23 -41.39 60.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -126.9 90.8 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -73.37 -39.15 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.4 m -44.99 -63.08 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 p -45.11 151.91 0.63 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -176.56 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.377 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 p -55.3 -179.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.3 mm-40 -120.16 103.66 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 41.1 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' GLU . 6.8 mm-40 -131.98 133.11 44.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -83.66 151.57 61.8 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.83 52.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.85 HG22 HG21 ' A' ' 90' ' ' THR . 35.9 mt -103.91 103.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 110.84 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m -83.94 25.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.457 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 1.4 p-10 -65.28 115.05 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.15 50.87 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.45 147.51 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tp -104.78 106.41 16.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.752 HG21 HG23 ' A' ' 109' ' ' ILE . 45.6 mt -94.22 145.7 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 8.4 m-20 -163.19 129.21 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' SER . 76.7 mt -48.51 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 75' ' ' ILE . 57.3 p -41.21 163.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -50.79 178.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.7 p -105.62 -26.62 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' SER . 9.1 mp0 -35.17 -55.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.8 t -59.03 135.05 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.476 ' N ' ' HD2' ' A' ' 81' ' ' LYS . 9.9 mptt -60.3 -53.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' LYS . 57.4 mtt85 -34.5 121.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -95.23 170.57 9.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 53.89 39.95 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 97' ' ' PHE . 92.3 t -107.32 138.7 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.5 OUTLIER -128.24 143.58 51.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -96.9 127.2 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 90' ' ' THR . 1.1 tt -123.36 148.41 46.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.8 m -134.87 123.18 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.85 HG21 HG22 ' A' ' 66' ' ' ILE . 76.6 p -108.66 139.95 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -40.75 -25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' THR . 0.8 OUTLIER -82.28 -62.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.83 177.66 9.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -118.21 135.66 54.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.466 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 16.0 p -140.33 178.14 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.483 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 12.1 mt -123.37 154.47 38.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.765 ' O ' HG13 ' A' ' 85' ' ' VAL . 65.7 m-85 -138.07 152.8 49.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -137.15 138.92 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -107.77 170.01 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.3 pt-20 -79.99 -45.22 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 10.4 t0 -128.76 166.26 19.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.552 ' O ' HD23 ' A' ' 106' ' ' LEU . 53.2 ttt85 -57.74 -47.13 83.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -43.48 97.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.57 -42.34 74.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.585 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 45.7 ttp -67.17 -53.68 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.1 mm? -47.97 -45.07 30.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.23 76.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.536 ' CE2' HD11 ' A' ' 15' ' ' LEU . 46.2 m95 -62.5 -55.29 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.752 HG23 HG21 ' A' ' 73' ' ' ILE . 84.1 mt -47.25 -53.09 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -60.85 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 11' ' ' LYS . 97.1 m -42.58 -61.87 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.482 HG12 HD22 ' A' ' 42' ' ' LEU . 20.0 mt -54.89 -56.71 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -47.87 -37.89 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.86 -44.87 88.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 m -62.96 -48.3 79.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.6 p -71.57 -26.43 62.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -69.57 163.05 26.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.598 ' H ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -90.6 38.72 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' SER . 3.0 m120 -37.0 104.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' ASN . 3.1 m -35.05 118.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -49.26 -77.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 93.38 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.698 2.266 . . . . 0.0 112.288 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -83.88 -53.75 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.0 t -46.66 113.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -163.41 162.76 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -72.29 142.54 48.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.69 -40.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m -89.39 170.75 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -74.47 121.92 22.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.41 123.55 5.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.6 149.29 50.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.804 0.335 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.5 112.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.77 -48.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HB2' HG21 ' A' ' 111' ' ' THR . 16.0 tttp -157.21 158.11 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.34 151.2 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.39 163.68 17.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.616 ' O ' HD23 ' A' ' 15' ' ' LEU . 87.7 m95 -70.78 118.25 13.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 108' ' ' TRP . 56.1 mt -137.4 148.64 46.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 93.5 m-70 -85.65 105.65 16.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.8 t80 -94.0 114.58 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -128.94 99.63 21.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.72 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.73 140.75 43.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -80.56 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.32 131.9 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 p -129.22 -63.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.56 146.06 1.63 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -107.02 83.29 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.54 53.11 40.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -131.87 130.47 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -90.87 42.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.53 162.2 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.4 -171.41 4.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -132.54 -99.36 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -84.46 131.44 34.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.53 131.04 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -55.24 159.39 4.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.52 3.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.482 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 77.9 m95 -46.39 142.93 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -114.81 88.79 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 37.9 tt0 -62.6 117.71 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.485 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 ptm -155.81 133.97 11.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' CE2' ' NE2' ' A' ' 56' ' ' GLN . 9.8 t80 -45.58 115.91 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 38' ' ' MET . 86.5 t -106.1 121.8 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.7 t -112.3 139.52 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 47' ' ' LEU . 31.5 tp -111.3 112.94 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -122.32 95.54 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 -100.39 1.0 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' VAL . 10.4 p-80 -124.74 14.1 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -123.73 134.18 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' LEU . 12.8 mt -104.2 113.73 27.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -103.74 116.42 32.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 49' ' ' LEU . 3.2 mp -101.14 158.37 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -147.29 126.75 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -42.62 -35.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' OD2' ' CZ ' ' A' ' 54' ' ' ARG . 42.7 p30 -144.93 -179.33 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -95.43 27.04 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CZ ' ' OD2' ' A' ' 52' ' ' ASP . 18.5 ttp-105 -101.64 137.98 39.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 49.07 54.99 9.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.401 ' NE2' ' CE2' ' A' ' 39' ' ' TYR . 8.4 tt0 -81.75 38.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.6 p -91.47 -40.11 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -93.71 155.24 40.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.621 0.724 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.2 Cg_endo -69.7 177.53 5.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 59' ' ' PRO . 86.5 p -31.96 120.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -94.62 -59.52 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -76.7 -49.05 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -93.15 177.85 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.06 153.21 43.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 141.25 44.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 90' ' ' THR . 30.7 mt -109.6 127.92 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.0 p -78.15 90.58 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' HIS . 17.7 m -84.14 28.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.17 -43.05 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.12 54.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -90.56 144.06 26.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.64 105.39 15.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -88.54 149.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 76' ' ' SER . 18.8 m-20 -160.81 128.97 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.5 mt -48.12 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' ASP . 38.4 t -36.1 150.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -41.63 160.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLU . 78.9 p -93.17 -26.26 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' SER . 16.3 mm-40 -34.29 -46.85 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 80' ' ' THR . 8.9 t -63.44 112.4 2.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -40.25 -46.57 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.71 145.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -120.66 153.11 37.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 37.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.99 146.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.9 OUTLIER -143.58 140.69 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.597 ' HG3' HD21 ' A' ' 96' ' ' LEU . 17.2 mtp180 -88.55 161.29 17.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.669 HD21 HG23 ' A' ' 90' ' ' THR . 1.8 tt -155.96 128.33 7.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 94' ' ' GLU . 89.3 m -115.66 124.26 50.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.669 HG23 HD21 ' A' ' 88' ' ' LEU . 30.1 p -118.88 144.96 46.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.8 p -44.18 -27.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.29 -66.92 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.5 m -152.59 177.57 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 89' ' ' THR . 6.2 mt-10 -109.7 155.96 20.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.46 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 21.9 p -167.43 170.95 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.597 HD21 ' HG3' ' A' ' 87' ' ' ARG . 4.8 mt -114.36 160.45 19.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.583 ' HE2' HD22 ' A' ' 88' ' ' LEU . 82.5 m-85 -142.51 123.82 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.446 ' O ' HD22 ' A' ' 15' ' ' LEU . 33.5 tt0 -100.5 169.42 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.27 167.27 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.72 -67.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.4 t70 -122.88 152.85 40.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' ASP . 47.0 ttt180 -36.21 -53.18 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -51.18 -50.1 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.44 -43.36 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.583 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 59.5 ttp -60.47 -58.41 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.31 -42.95 42.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.1 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CE2' HD11 ' A' ' 15' ' ' LEU . 41.3 m95 -61.49 -57.46 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.4 mt -43.49 -54.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -58.37 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.534 HG21 ' HB2' ' A' ' 11' ' ' LYS . 86.8 m -43.35 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.525 HD11 ' HE3' ' A' ' 108' ' ' TRP . 15.6 mt -58.78 -64.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -41.11 -39.58 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.27 -46.51 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -64.42 -47.36 79.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.3 p -65.78 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -66.13 121.45 15.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.5 mt -53.83 123.84 13.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -113.14 104.77 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 78.9 p -86.88 118.46 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.04 143.16 3.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 1.59 4.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.273 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.6 p -76.37 58.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.1 t -53.58 130.66 36.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -88.85 -54.34 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.3 p -66.87 148.61 51.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.76 70.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -71.56 -56.92 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -110.16 147.97 32.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.44 79.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.439 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.51 104.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.04 124.1 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.78 -49.15 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HB2' HG21 ' A' ' 111' ' ' THR . 31.3 tttp -150.27 162.99 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.625 ' CB ' HG22 ' A' ' 41' ' ' VAL . 7.4 pt-20 -164.23 161.65 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.78 166.64 14.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.531 ' O ' HD23 ' A' ' 15' ' ' LEU . 85.0 m95 -72.62 132.77 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD11 ' CE2' ' A' ' 108' ' ' TRP . 80.1 mt -157.64 141.56 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -76.71 107.39 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -94.2 110.32 22.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 65.7 ttt-85 -128.26 101.88 21.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 53.7 Cg_endo -69.73 140.61 43.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 ' CA ' ' A' ' 95' ' ' CYS . 4.1 mm? -69.14 -50.35 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p -170.52 151.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -170.26 154.4 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 68.58 41.51 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.17 165.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.91 43.58 99.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -147.51 145.11 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -65.69 97.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 32' ' ' ILE . 11.5 p -174.29 156.23 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 28' ' ' VAL . . . 131.08 113.08 1.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.65 -40.24 2.68 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -88.63 48.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.658 HD11 ' CG2' ' A' ' 28' ' ' VAL . 57.5 mt -142.12 139.96 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -51.57 153.71 3.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.48 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.4 Cg_endo -69.81 -163.42 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 55.7 m95 -32.09 136.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -105.94 114.59 28.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -86.16 112.23 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.418 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.4 ptm -151.81 137.68 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -49.79 115.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 38' ' ' MET . 99.3 t -103.68 124.53 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 12' ' ' GLU . 46.3 t -120.45 139.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -104.68 123.44 47.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -134.84 103.2 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.54 -109.97 2.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 68' ' ' VAL . 2.0 m80 -119.66 6.32 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -121.57 144.4 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.06 118.85 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -104.82 116.05 31.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.01 163.27 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -143.73 125.02 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -41.48 -44.14 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -145.87 165.99 27.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -84.91 27.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -62.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -147.46 138.5 23.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 57' ' ' THR . 10.4 mp0 -99.98 -33.6 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 56' ' ' GLN . 1.8 t -33.45 -38.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' GLN . 16.7 p -91.57 155.04 44.21 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -179.96 3.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.704 2.27 . . . . 0.0 112.354 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 p -50.49 -177.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 63' ' ' GLU . 17.3 mm-40 -108.56 -170.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 61' ' ' GLU . 6.2 mm-40 -32.73 -36.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -50.98 169.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -114.73 142.25 28.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 157.15 61.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.668 HG22 HG21 ' A' ' 90' ' ' THR . 45.0 mt -119.61 116.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -73.46 104.91 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' HIS . 10.3 m -83.47 15.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.0 115.06 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.46 52.65 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.581 ' C ' HD22 ' A' ' 72' ' ' LEU . 1.9 p -90.64 173.74 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 71' ' ' CYS . 3.4 mm? -127.19 104.03 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.4 mt -96.07 142.97 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-20 -161.9 119.8 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 75.3 mt -35.5 98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' ILE . 18.6 t -35.28 152.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -42.27 165.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.7 p -111.7 66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.11 -35.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 81' ' ' LYS . 2.9 t -71.31 124.5 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 80' ' ' THR . 30.9 mtmt -34.54 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -41.37 139.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.35 162.47 17.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 16.7 m120 62.23 48.8 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -114.33 135.4 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -120.85 132.69 55.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.406 ' HA ' HD23 ' A' ' 96' ' ' LEU . 26.7 ttp180 -88.76 135.11 33.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.3 tt -132.38 137.09 47.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.1 m -127.66 123.91 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.668 HG21 HG22 ' A' ' 66' ' ' ILE . 19.0 p -107.34 146.76 31.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -41.13 -25.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' THR . 14.2 t70 -82.15 -70.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 m -143.85 177.62 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 95' ' ' CYS . 41.5 tt0 -110.27 153.83 24.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.433 ' CA ' HD23 ' A' ' 20' ' ' LEU . 3.5 m -155.69 -179.12 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 87' ' ' ARG . 23.6 mt -128.86 162.88 26.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 81.5 m-85 -149.09 132.5 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.538 ' O ' HD22 ' A' ' 15' ' ' LEU . 36.8 tt0 -110.19 148.38 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 146.88 47.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -63.04 -61.18 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.0 m-20 -122.86 147.97 45.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 101' ' ' ASP . 26.3 ttm180 -36.51 -61.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ARG . 24.3 t0 -37.42 -61.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.18 -50.05 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' LEU . 41.7 ttp -56.36 -70.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' MET . 4.6 mm? -37.27 -40.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CE2' HD11 ' A' ' 15' ' ' LEU . 53.5 m95 -55.81 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.5 mt -38.65 -54.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.94 -66.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.472 HG21 ' HB2' ' A' ' 11' ' ' LYS . 47.6 m -41.7 -60.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.467 HD11 ' HE3' ' A' ' 108' ' ' TRP . 24.1 mt -53.72 -61.01 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -45.2 -41.05 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -60.6 -44.33 96.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 m -75.07 -29.68 60.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.7 p -100.16 36.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 119' ' ' ASN . 1.1 p-10 -102.51 162.62 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 mt -90.06 -46.3 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.537 ' O ' ' ND2' ' A' ' 117' ' ' ASN . 7.6 m120 -75.51 85.24 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -116.36 135.23 54.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -117.53 -157.92 10.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.96 4.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.1 m -39.26 -47.48 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -81.76 96.58 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -99.98 139.34 35.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -78.15 156.52 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.06 -43.95 1.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -43.74 139.63 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -104.89 156.44 18.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.49 -111.36 0.61 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -38.88 152.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.84 114.74 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.48 -44.92 55.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 17.5 tttp -158.79 163.53 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -162.97 136.52 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.54 159.34 22.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.458 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.548 ' O ' HD23 ' A' ' 15' ' ' LEU . 83.5 m95 -68.32 128.84 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 14' ' ' TRP . 22.9 mt -153.33 147.27 25.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -83.97 111.43 19.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -94.28 115.39 27.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -128.85 102.59 19.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 95' ' ' CYS . 53.7 Cg_endo -69.77 136.58 33.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 95' ' ' CYS . 4.4 mm? -68.74 -59.36 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.78 154.11 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.4 p -125.53 -29.49 3.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -79.5 -48.55 13.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? 48.65 40.12 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.08 -67.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.43 176.66 8.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.811 0.338 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -92.49 92.26 7.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 m -70.51 -21.39 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.85 78.95 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.416 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.96 -173.88 25.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.7 p -89.91 178.94 6.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.847 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -111.86 -58.46 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -137.05 152.85 74.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 178.37 4.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -39.6 160.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -131.01 95.18 3.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.27 111.14 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 ptm -156.62 128.0 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 21.0 t80 -44.91 114.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t -100.25 118.82 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.07 132.46 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 tp -108.13 113.29 26.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -124.44 96.3 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.51 -102.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -124.87 13.45 8.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -122.92 136.18 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -107.46 107.34 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -96.01 121.87 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -102.88 156.91 17.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -148.81 136.28 20.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -43.55 -51.71 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.883 ' HB3' HG21 ' A' ' 58' ' ' THR . 11.5 t70 -137.92 167.02 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 25.1 tttp -88.15 45.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 1.029 ' O ' HG22 ' A' ' 57' ' ' THR . 2.4 tpp180 -94.77 84.96 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.0 OUTLIER 42.15 48.49 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' GLU . 15.5 mp0 33.69 34.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 1.029 HG22 ' O ' ' A' ' 54' ' ' ARG . 14.3 t -102.79 -28.62 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.883 HG21 ' HB3' ' A' ' 52' ' ' ASP . 16.4 p -41.39 155.39 0.22 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.701 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -168.41 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.0 24.98 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' GLU . 14.9 mt-10 -70.21 -43.99 69.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' GLU . 7.1 pm0 -38.15 -32.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 8.1 mp0 -52.76 98.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -58.5 148.07 66.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.689 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.12 69.28 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.377 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.866 HG22 HG21 ' A' ' 90' ' ' THR . 53.3 mt -94.13 97.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 107.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 66' ' ' ILE . 30.5 m -101.75 26.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -64.21 -36.33 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.04 45.28 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.32 174.96 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -136.31 113.88 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.52 HD11 ' CG2' ' A' ' 112' ' ' ILE . 50.5 mt -97.56 141.63 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -157.65 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.8 mt -43.05 98.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' TYR . 38.4 t -43.62 145.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE2' ' HB ' ' A' ' 80' ' ' THR . 15.4 p90 -32.71 139.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -91.34 57.31 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -133.61 -35.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.579 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 8.2 t -56.69 123.44 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.0 mtpp -33.09 -41.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' HE ' ' N ' ' A' ' 82' ' ' ARG . 4.5 mmp_? -44.97 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -137.07 146.7 45.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 49.28 55.03 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.81 128.99 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -113.48 137.37 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.64 129.87 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.582 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -124.26 131.48 53.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.546 HG23 ' HG3' ' A' ' 94' ' ' GLU . 88.4 m -123.11 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.866 HG21 HG22 ' A' ' 66' ' ' ILE . 17.0 p -114.43 139.68 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.6 t -39.45 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' THR . 5.2 t0 -76.12 -70.03 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.2 m -147.43 176.48 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.546 ' HG3' HG23 ' A' ' 89' ' ' THR . 3.3 mt-10 -105.53 156.09 18.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.585 ' N ' HD23 ' A' ' 20' ' ' LEU . 25.3 p -167.73 172.77 8.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.17 166.16 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -150.46 124.8 9.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.473 ' HG2' ' N ' ' A' ' 99' ' ' ALA . 16.2 tt0 -102.62 153.11 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.473 ' N ' ' HG2' ' A' ' 98' ' ' GLN . . . -124.81 -177.68 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -105.7 -61.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -105.52 140.84 38.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -45.44 -44.74 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.53 -45.31 92.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.447 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 15.0 tmm? -55.29 -50.31 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.02 -45.89 89.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.31 -56.82 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.544 ' CE2' HD11 ' A' ' 15' ' ' LEU . 39.3 m95 -50.39 -53.24 30.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -45.87 -51.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 111' ' ' THR . 1.8 ttmp? -58.29 -70.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 110' ' ' LYS . 29.0 m -37.41 -58.73 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.52 ' CG2' HD11 ' A' ' 73' ' ' ILE . 16.3 mt -57.14 -56.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -47.75 -39.89 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.04 -45.94 89.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 p -69.33 -37.68 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.2 p -81.73 43.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -150.71 115.88 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.99 -57.38 12.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 46.15 42.67 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.2 t -112.3 127.16 55.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 122' ' ' PRO . . . -176.32 -61.26 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 121' ' ' GLY . 54.0 Cg_endo -69.74 2.71 3.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -62.8 98.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.9 t -41.94 -60.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -89.13 -52.52 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -89.31 -59.86 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.58 72.23 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -136.43 132.61 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -113.63 41.85 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.34 -74.04 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.62 155.33 39.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.321 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 112.8 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.26 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.647 ' HB2' HG21 ' A' ' 111' ' ' THR . 26.6 tttp -154.3 169.01 24.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -163.57 152.51 14.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.46 157.59 8.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.882 ' O ' HD23 ' A' ' 15' ' ' LEU . 80.6 m95 -68.69 127.87 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.325 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 14' ' ' TRP . 22.2 mt -148.91 150.35 32.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 87.2 m-70 -86.42 109.67 19.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -94.22 109.0 20.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -123.95 97.56 40.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.2 Cg_endo -69.74 141.26 44.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD23 ' HG2' ' A' ' 94' ' ' GLU . 4.1 mm? -73.58 -46.4 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -168.92 153.21 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.0 p -126.15 176.04 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.46 104.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -97.36 116.34 29.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.97 -31.63 1.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 37.7 mmtt -83.57 47.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 27' ' ' ARG . 19.9 mmm-85 37.77 42.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 28' ' ' VAL . 7.9 p -117.8 45.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.4 -153.71 0.92 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.19 52.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.8 p -84.5 -178.12 6.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 32' ' ' ILE . 9.5 mt -122.67 42.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mtm-85 -42.15 157.98 0.21 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.9 Cg_endo -69.78 165.58 30.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.675 ' CH2' HG21 ' A' ' 85' ' ' VAL . 77.9 m95 -37.67 133.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -107.05 112.22 25.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 52.1 tt0 -86.16 107.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.7 ptm -147.51 132.68 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.438 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.4 t80 -44.62 116.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' HD22 ' A' ' 47' ' ' LEU . 93.7 t -105.24 118.39 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.03 137.93 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 tp -109.26 104.88 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -111.33 102.83 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -99.4 0.43 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -124.91 14.05 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 m -122.72 141.14 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.466 HD22 ' CG1' ' A' ' 40' ' ' VAL . 11.1 mt -105.39 111.42 24.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.48 102.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 4.2 mp -85.58 170.54 12.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 91.6 m-85 -160.87 129.56 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.82 -41.18 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.34 157.23 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 tttt -85.47 34.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -67.21 -62.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -136.82 124.48 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -82.96 -50.01 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.1 p -43.24 -41.84 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.6 p -59.2 155.45 34.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.148 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 53.4 Cg_endo -69.8 156.0 64.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 5.2 t -47.96 176.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' GLU . 77.8 mm-40 -94.57 92.92 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 42.13 24.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 61' ' ' GLU . 35.6 mm-40 -123.56 125.81 45.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -70.29 151.25 95.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.649 0.737 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 154.64 67.24 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.771 ' CG2' HG21 ' A' ' 90' ' ' THR . 36.1 mt -116.75 107.89 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 98.2 p -69.92 124.1 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 m -109.17 26.91 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -65.09 -37.52 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.29 51.41 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 p -94.29 177.33 5.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 mt -137.21 108.75 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 109' ' ' ILE . 36.4 mt -89.55 143.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -154.45 125.04 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.7 mt -47.72 106.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.673 ' CB ' HG13 ' A' ' 85' ' ' VAL . 4.6 p -29.77 143.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.47 158.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 m -86.39 54.43 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.76 -53.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.415 HG21 HG11 ' A' ' 85' ' ' VAL . 10.4 t -43.36 142.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.94 -27.72 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HD3' ' NE1' ' A' ' 35' ' ' TRP . 5.1 mpt_? -67.2 136.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -99.08 174.54 6.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 0.6 OUTLIER 41.35 39.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.675 HG21 ' CH2' ' A' ' 35' ' ' TRP . 8.4 p -110.36 129.64 65.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -119.57 139.22 52.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.416 ' HA ' HD23 ' A' ' 96' ' ' LEU . 18.1 ttp180 -88.9 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.734 HD21 HG23 ' A' ' 90' ' ' THR . 1.6 tt -128.02 130.65 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -116.96 118.68 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.771 HG21 ' CG2' ' A' ' 66' ' ' ILE . 31.9 p -107.67 141.78 38.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' THR . 3.8 t -38.53 -31.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' THR . 38.7 t70 -77.74 -66.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 77.2 m -145.62 177.57 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.429 ' HG2' HD23 ' A' ' 20' ' ' LEU . 42.2 tt0 -115.73 148.19 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 17.0 p -160.47 163.59 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 87' ' ' ARG . 5.3 mt -106.27 166.71 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.404 ' CE2' ' SG ' ' A' ' 95' ' ' CYS . 55.4 m-85 -147.34 129.04 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -107.83 140.66 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . . . -108.17 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -79.12 -38.4 36.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 102' ' ' ARG . 4.5 t70 -155.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' ASP . 37.4 ttp180 -34.28 -64.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.73 -49.32 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.66 -41.74 95.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.422 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 52.0 ttp -55.71 -62.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.7 mp -47.52 -54.6 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.59 -36.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.711 ' CE2' HD11 ' A' ' 15' ' ' LEU . 37.3 m95 -76.24 -51.81 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.474 HG23 HG21 ' A' ' 73' ' ' ILE . 88.5 mt -49.52 -46.31 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 21.5 ttmm -68.22 -65.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 11' ' ' LYS . 62.4 m -37.11 -56.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.583 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.9 mt -61.61 -55.46 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -47.46 -37.27 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.05 -42.79 95.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -71.59 -39.88 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.4 p -81.95 43.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -141.85 143.44 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -110.82 113.14 25.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -145.3 117.42 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.7 m -145.66 129.36 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 155.41 -80.16 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 123' ' ' SER . 53.8 Cg_endo -69.72 0.45 5.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 0.0 112.399 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' PRO . 14.5 m -37.23 -59.63 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 p -82.38 174.93 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -129.39 141.34 51.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m 59.15 27.5 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.73 -72.7 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -130.65 86.17 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -41.22 -56.2 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.03 75.69 1.19 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -144.72 164.43 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 112.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -46.92 -45.78 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.1 tttp -157.05 165.89 34.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.94 161.39 25.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.31 160.43 9.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.655 ' O ' HD23 ' A' ' 15' ' ' LEU . 87.0 m95 -68.76 126.71 30.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.767 HD11 ' CE2' ' A' ' 108' ' ' TRP . 55.4 mt -149.09 152.43 36.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 99.4 m-70 -87.46 107.76 18.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CE2' ' OE1' ' A' ' 63' ' ' GLU . 14.1 t80 -95.95 109.02 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 20.4 ttt180 -123.44 96.78 43.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.37 -37.49 32.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' CG2' ' H ' ' A' ' 25' ' ' GLY . 10.0 p -175.33 150.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -129.87 -44.89 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -81.95 44.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 39.66 37.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' H ' ' CG2' ' A' ' 21' ' ' VAL . . . 67.42 69.84 1.27 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.33 150.97 19.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 ptt-85 -84.18 50.98 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 28' ' ' VAL . 16.4 m -90.75 78.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.72 -67.83 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.02 61.48 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.3 m -143.42 142.03 31.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.9 mt -120.78 133.36 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -104.1 155.21 37.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.69 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.3 Cg_endo -69.76 169.96 17.7 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' PRO . 92.2 m95 -34.91 150.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.43 90.84 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 57.6 tt0 -64.36 109.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 20.4 ptm -152.05 131.39 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 53' ' ' LYS . 4.3 t80 -43.28 120.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.636 HG22 HD23 ' A' ' 49' ' ' LEU . 75.8 t -110.11 120.08 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.81 145.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' A' ' 10' ' ' ALA . 19.2 tp -118.58 105.43 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . 12.2 mtp-105 -116.66 119.21 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.02 -104.17 0.83 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -126.98 13.56 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 m -123.13 156.83 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.09 116.65 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.67 105.12 15.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.636 HD23 HG22 ' A' ' 40' ' ' VAL . 4.4 mp -88.05 169.43 11.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 56.8 m-85 -156.75 141.03 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 12.6 ptmt -61.64 -45.28 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.0 t0 -136.96 -178.41 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 18.7 tptp -90.08 39.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 3.6 mmp_? -71.07 -174.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ARG . 53.1 mm-40 -33.81 -45.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.501 ' CD ' ' CE2' ' A' ' 50' ' ' TYR . 14.2 tt0 65.11 28.6 12.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 m -63.43 -46.51 85.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.07 159.7 72.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.582 0.706 . . . . 0.0 111.169 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -14.78 36.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 p -175.03 158.23 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -98.02 -59.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' OE1' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -123.06 -36.43 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.595 ' OE1' ' CE2' ' A' ' 17' ' ' PHE . 8.6 mt-10 -79.93 173.29 12.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -116.62 153.27 49.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.526 0.679 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 141.55 45.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.509 HG22 HG21 ' A' ' 90' ' ' THR . 17.1 mt -114.28 123.55 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -76.5 104.89 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -69.86 -22.36 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.521 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.6 t-20 -38.55 111.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 72.69 40.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.96 139.4 31.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.67 103.98 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.516 HG21 HG23 ' A' ' 109' ' ' ILE . 42.1 mt -92.27 143.62 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -162.77 126.75 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 76' ' ' SER . 85.9 mt -46.04 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 75' ' ' ILE . 1.5 t -35.37 153.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -48.25 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.435 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 11.8 t -112.33 51.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -123.24 -62.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.938 HG23 ' NE ' ' A' ' 82' ' ' ARG . 1.8 t -47.51 137.02 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -71.75 90.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.938 ' NE ' HG23 ' A' ' 80' ' ' THR . 0.0 OUTLIER -159.35 178.48 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -144.11 133.87 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 63.41 52.75 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.579 HG21 ' HD3' ' A' ' 82' ' ' ARG . 93.3 t -113.37 133.12 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 86' ' ' PHE . 1.2 p90 -123.03 133.73 54.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.548 ' HA ' HD23 ' A' ' 96' ' ' LEU . 20.9 ttp180 -88.8 120.14 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.798 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -113.18 130.33 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 117.65 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.798 ' CG2' HD21 ' A' ' 88' ' ' LEU . 11.1 p -108.69 139.2 43.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 72.4 m -37.4 -33.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' THR . 44.4 t0 -73.57 -69.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.85 178.9 6.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -125.02 130.81 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 16.2 p -145.68 173.0 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 87' ' ' ARG . 24.6 mt -115.63 170.14 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.568 ' O ' HG13 ' A' ' 85' ' ' VAL . 75.6 m-85 -148.7 140.59 23.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.551 ' O ' HD22 ' A' ' 15' ' ' LEU . 33.5 tt0 -111.85 165.69 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.17 149.93 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.38 -58.45 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.07 146.21 43.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -44.67 -60.05 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -39.54 -50.81 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.03 -46.9 82.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 14.8 tmm? -56.41 -55.82 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.42 HD22 ' SD ' ' A' ' 105' ' ' MET . 4.2 mm? -51.84 -42.33 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.72 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.767 ' CE2' HD11 ' A' ' 15' ' ' LEU . 51.7 m95 -60.08 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.516 HG23 HG21 ' A' ' 73' ' ' ILE . 61.0 mt -41.24 -52.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 11' ' ' LYS . 75.3 m -42.48 -60.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.5 mt -56.38 -57.03 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -47.0 -39.71 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.07 -49.44 77.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -58.99 -39.85 83.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 p -72.12 -25.38 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -81.9 150.36 27.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 119' ' ' ASN . 5.0 mp -78.44 45.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 118' ' ' LEU . 2.0 p-10 34.4 40.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.9 p -62.45 114.8 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.75 168.66 5.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.79 69.03 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.5 m -108.59 128.39 54.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -70.13 155.17 41.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 43' ' ' ARG . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.68 -47.85 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HB2' HG21 ' A' ' 111' ' ' THR . 30.9 tttp -149.29 158.98 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.45 148.81 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.24 155.03 8.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.552 ' O ' HD23 ' A' ' 15' ' ' LEU . 77.8 m95 -68.73 131.26 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.622 HD11 ' CE2' ' A' ' 108' ' ' TRP . 11.1 mt -152.57 158.2 42.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 83.5 m-70 -91.3 111.3 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -97.1 110.81 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 62.7 ttt-85 -118.93 95.66 49.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.81 143.1 49.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.63 -39.91 26.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 82' ' ' ARG . 93.5 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.799 0.333 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -104.73 132.81 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.47 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 40.9 tt0 -98.95 109.8 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.439 ' HE2' ' HB3' ' A' ' 49' ' ' LEU . 15.0 ptm -149.05 132.72 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' TYR . 23.0 t80 -47.86 115.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 38' ' ' MET . 90.1 t -104.11 124.91 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -121.33 137.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.1 tp -106.54 106.83 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.525 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 97.1 mtt180 -116.48 105.81 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.34 -104.53 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -126.86 13.87 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.6 m -124.41 144.62 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.1 110.95 23.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -99.82 113.15 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.439 ' HB3' ' HE2' ' A' ' 38' ' ' MET . 4.0 mp -94.09 158.41 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 51.5 m-85 -151.73 133.47 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -144.74 163.32 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 tttt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.743 0.226 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 mt -115.63 134.89 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -83.13 134.2 35.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.05 -1.83 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -42.34 -38.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.52 60.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.83 176.21 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mp -137.64 105.44 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.6 mt -92.08 144.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 76' ' ' SER . 15.9 m-20 -161.2 117.38 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' SER . 70.5 mt -37.5 95.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.678 ' HB3' HG13 ' A' ' 85' ' ' VAL . 47.8 t -34.84 149.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -45.74 153.66 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -94.97 44.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -113.75 -31.49 6.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' ARG . 9.0 t -70.78 126.68 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -42.7 -24.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 35' ' ' TRP . 38.5 mtt85 -72.66 122.33 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -100.67 151.42 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 51.0 m-20 66.18 39.93 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 76' ' ' SER . 8.5 p -110.7 130.63 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.2 p90 -109.88 140.4 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.742 ' HA ' HD23 ' A' ' 96' ' ' LEU . 43.5 ttp85 -98.35 125.7 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.645 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.8 tt -118.38 131.74 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.1 m -124.32 111.08 15.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.645 ' CG2' HD21 ' A' ' 88' ' ' LEU . 10.4 p -92.94 149.36 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.7 p -53.27 -23.12 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.4 -54.35 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 177.64 8.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -125.08 150.84 46.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -163.18 178.82 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 87' ' ' ARG . 9.4 mt -124.69 168.35 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.9 m-85 -153.04 121.97 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 59.7 tt0 -102.52 159.48 15.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.52 175.44 9.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -93.49 -64.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.9 138.74 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -42.28 -54.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.66 -42.17 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.49 -46.41 76.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 21.4 ttp -54.86 -57.24 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.0 mt -46.89 -45.95 20.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.42 -54.07 15.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.6 m95 -55.88 -62.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 86' ' ' PHE . 82.0 mt -39.38 -48.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' THR . 19.4 ttpt -63.78 -66.07 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 11' ' ' LYS . 88.6 m -37.19 -57.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 115' ' ' SER . 14.8 mt -60.18 -63.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.76 -30.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.15 -39.18 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' ILE . 3.6 m -68.2 -51.54 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.9 p -58.36 -51.73 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.5 t30 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.807 0.337 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -49.73 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.564 ' HB2' HG21 ' A' ' 111' ' ' THR . 25.4 tttp -150.18 165.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -165.03 161.67 19.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 159.97 9.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.529 ' O ' HD23 ' A' ' 15' ' ' LEU . 89.0 m95 -70.02 111.07 5.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.958 HD11 ' CE2' ' A' ' 108' ' ' TRP . 38.5 mt -131.3 141.35 49.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.496 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 58.6 m-70 -79.93 107.83 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.17 110.09 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -125.01 97.91 37.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.78 141.6 45.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.583 HD23 ' HG2' ' A' ' 94' ' ' GLU . 4.1 mm? -73.59 -45.34 53.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.823 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 70.9 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -114.6 96.01 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -69.29 113.07 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.7 ptm -150.18 142.78 24.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' TYR . 11.5 t80 -54.49 110.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 ' HG ' ' A' ' 49' ' ' LEU . 53.7 t -99.5 127.48 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.34 131.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.07 105.17 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -113.67 97.88 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.72 -99.29 1.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.4 p-80 -126.34 14.07 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 m -122.29 143.38 49.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -108.93 106.89 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CD1' ' HB3' ' A' ' 65' ' ' PRO . 69.7 m-85 -97.32 106.47 18.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.535 ' HG ' HG22 ' A' ' 40' ' ' VAL . 4.5 mp -90.85 155.53 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' TYR . 71.0 m-85 -148.39 138.45 22.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -74.49 -24.23 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -126.08 173.46 9.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.9 tttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HB3' ' CD1' ' A' ' 48' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.787 0.244 . . . . 0.0 112.289 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 mt -120.84 108.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -63.44 102.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' HIS . 13.4 m -82.98 31.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 9.3 t30 -69.67 107.64 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 68.07 54.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.802 ' SG ' HG22 ' A' ' 90' ' ' THR . 58.1 m -111.04 171.7 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -109.18 155.32 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.433 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 29.9 mt -143.8 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 73' ' ' ILE . 74.1 m-20 -146.59 141.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' SER . 99.5 mt -61.02 102.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' ILE . 49.4 p -34.23 131.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.37 162.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -85.17 28.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.98 -58.73 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -47.65 140.18 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -80.02 46.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 17.2 mtp85 -140.08 153.4 46.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 85' ' ' VAL . 39.2 mtmt -108.24 176.94 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER 37.42 50.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 83' ' ' LYS . 78.5 t -120.53 131.92 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HD11 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -123.41 141.58 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -101.0 128.45 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 90' ' ' THR . 1.3 tt -119.41 139.23 52.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -124.68 127.84 47.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.802 HG22 ' SG ' ' A' ' 71' ' ' CYS . 44.8 p -113.21 153.71 27.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 t -50.84 -21.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.51 -69.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 99.1 m -141.41 172.17 13.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.583 ' HG2' HD23 ' A' ' 20' ' ' LEU . 41.1 tt0 -111.32 155.63 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.427 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 31.8 p -162.87 167.85 22.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mt -115.61 170.26 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.671 ' O ' HG13 ' A' ' 85' ' ' VAL . 75.3 m-85 -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.614 ' HB2' HG22 ' A' ' 85' ' ' VAL . 36.5 tt0 -133.2 138.27 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.32 -175.59 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.65 -49.86 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.449 ' OD1' ' CG ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -124.48 149.92 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -42.07 -55.37 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.88 -51.83 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 101' ' ' ASP . 11.9 m-20 -54.26 -47.29 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 106' ' ' LEU . 12.8 tmm? -55.16 -70.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.457 ' N ' ' SD ' ' A' ' 105' ' ' MET . 50.9 mt -42.39 -46.63 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.35 32.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.958 ' CE2' HD11 ' A' ' 15' ' ' LEU . 48.3 m95 -60.45 -66.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 86' ' ' PHE . 77.1 mt -37.21 -49.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.564 HG21 ' HB2' ' A' ' 11' ' ' LYS . 80.9 m -39.28 -54.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.488 HD11 ' HE3' ' A' ' 108' ' ' TRP . 16.7 mt -61.61 -51.19 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.69 -34.14 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -65.61 -48.23 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m -69.11 -41.77 76.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -83.86 56.02 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.833 0.349 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.76 -43.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' A' ' 111' ' ' THR . 36.4 tttp -161.74 156.38 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.97 156.22 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.91 168.17 25.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.646 ' O ' HD23 ' A' ' 15' ' ' LEU . 82.6 m95 -78.63 122.03 25.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 98' ' ' GLN . 44.1 mt -144.28 143.69 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.561 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 87.4 m-70 -79.8 110.18 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 16.7 t80 -98.74 110.17 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -121.06 98.34 47.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.74 143.9 52.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.71 2.274 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.34 -48.7 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.616 ' CH2' HD13 ' A' ' 96' ' ' LEU . 84.6 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -122.62 102.43 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.29 117.15 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.431 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.3 ptm -153.34 126.15 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 53' ' ' LYS . 15.1 t80 -44.59 107.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 38' ' ' MET . 73.5 t -94.12 129.43 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.1 t -120.7 138.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.1 tp -113.31 108.72 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -118.75 112.86 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.18 -100.94 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -126.66 12.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -119.05 161.18 20.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.95 116.87 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -106.01 113.58 27.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 49' ' ' LEU . 2.6 mp -97.33 151.66 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -141.97 135.34 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -49.88 -28.96 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 3.8 p30 -161.14 132.26 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 41.4 tttm . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.729 0.22 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.635 ' CG2' HG21 ' A' ' 90' ' ' THR . 17.0 mt -95.86 110.77 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.7 111.4 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 69' ' ' ASN . 19.6 m -91.89 -7.13 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.1 t30 -35.57 -37.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.03 66.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.18 177.77 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -135.05 111.76 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.41 HG21 HG23 ' A' ' 109' ' ' ILE . 34.2 mt -96.67 142.93 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -159.68 122.81 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.4 mt -44.34 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.401 ' OG ' ' CD2' ' A' ' 96' ' ' LEU . 58.8 m -41.04 159.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.642 ' O ' HG22 ' A' ' 80' ' ' THR . 24.2 p90 -57.85 139.42 54.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 80' ' ' THR . 73.8 m -63.04 -44.32 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -40.52 -26.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 77' ' ' TYR . 6.7 t -59.33 115.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -38.64 -44.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 35' ' ' TRP . 12.3 mmp_? -52.7 173.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -132.88 151.84 51.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 45.2 53.67 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.731 HG13 ' O ' ' A' ' 97' ' ' PHE . 91.8 t -109.49 133.17 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.545 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -115.91 129.84 56.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.483 ' CG ' ' OE2' ' A' ' 94' ' ' GLU . 27.4 ttp180 -90.1 125.74 35.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.759 HD21 HG23 ' A' ' 90' ' ' THR . 0.8 OUTLIER -117.9 136.48 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 m -121.71 120.07 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.759 HG23 HD21 ' A' ' 88' ' ' LEU . 19.4 p -109.76 139.87 44.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -41.66 -25.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' THR . 18.6 t0 -81.68 -66.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 m -148.73 167.97 24.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.483 ' OE2' ' CG ' ' A' ' 87' ' ' ARG . 8.1 tm-20 -102.11 159.24 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.439 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 18.0 p -167.31 159.2 12.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.616 HD13 ' CH2' ' A' ' 35' ' ' TRP . 12.3 mt -105.95 160.19 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.731 ' O ' HG13 ' A' ' 85' ' ' VAL . 50.0 m-85 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.716 ' O ' HD22 ' A' ' 15' ' ' LEU . 57.2 tt0 -115.78 165.95 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 98' ' ' GLN . . . -139.31 147.51 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.22 -61.15 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 102' ' ' ARG . 63.6 m-20 -120.77 141.29 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.3 ttt85 -33.95 -55.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.84 -55.57 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.5 -51.9 33.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.459 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 51.8 ttp -49.41 -69.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.409 ' H ' ' CD2' ' A' ' 106' ' ' LEU . 4.1 mm? -38.94 -49.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.98 -53.33 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.71 ' CE2' HD11 ' A' ' 15' ' ' LEU . 40.7 m95 -57.88 -62.89 1.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.41 HG23 HG21 ' A' ' 73' ' ' ILE . 82.3 mt -39.59 -52.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.477 HG21 ' HB2' ' A' ' 11' ' ' LYS . 91.1 m -38.5 -58.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.522 HD11 ' HE3' ' A' ' 108' ' ' TRP . 15.1 mt -59.11 -57.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -48.19 -32.41 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.86 -36.74 75.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -75.09 -38.85 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.7 p -86.89 39.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.801 0.334 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -40.53 -49.99 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.0 tttp -150.86 158.77 44.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -159.05 155.65 27.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.6 159.38 9.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -67.58 118.69 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.777 HD11 ' CE2' ' A' ' 108' ' ' TRP . 89.3 mt -138.19 142.43 40.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 93.1 m-70 -81.3 109.29 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.1 t80 -93.78 109.75 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -117.68 97.66 50.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.76 141.83 46.29 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 20' ' ' LEU . 9.4 mt -91.66 -55.38 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.601 ' HH2' HG21 ' A' ' 85' ' ' VAL . 63.3 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.825 0.345 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -112.38 114.0 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 47.6 tt0 -83.76 105.63 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.425 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 ptm -147.11 125.33 12.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.4 t80 -40.76 114.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.473 HG22 HD23 ' A' ' 49' ' ' LEU . 70.0 t -103.18 121.79 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.72 139.76 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.2 tp -110.0 116.11 31.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -130.29 113.73 14.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -115.08 5.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.501 ' O ' HG22 ' A' ' 68' ' ' VAL . 13.5 m80 -118.27 13.81 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.3 m -126.49 151.03 48.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -107.72 122.65 47.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -109.94 111.92 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD23 HG22 ' A' ' 40' ' ' VAL . 5.0 mp -96.56 159.32 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' TYR . 46.0 m-85 -152.12 135.44 15.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.2 -38.22 85.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -124.12 175.04 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.8 tttt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.737 0.224 . . . . 0.0 112.332 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.87 124.98 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 t -76.13 107.8 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 45' ' ' HIS . 11.3 m -88.25 -8.38 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -33.79 -43.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.96 64.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.6 177.51 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 tt -134.08 126.25 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 1.065 HG21 HG23 ' A' ' 109' ' ' ILE . 44.6 mt -108.7 145.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -162.44 122.91 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' SER . 79.8 mt -41.55 96.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.524 ' HB3' HG13 ' A' ' 85' ' ' VAL . 8.1 t -34.87 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.545 ' O ' HG22 ' A' ' 80' ' ' THR . 12.0 p90 -53.0 106.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.6 p -44.07 -23.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -43.44 27.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 77' ' ' TYR . 9.1 t -52.67 116.84 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' THR . 9.1 ptpp? -33.87 -38.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 2.3 mpt_? -62.28 134.58 56.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -105.55 161.02 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.33 45.68 26.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.601 HG21 ' HH2' ' A' ' 35' ' ' TRP . 7.5 p -117.38 132.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.575 ' HB3' HD11 ' A' ' 109' ' ' ILE . 1.6 p90 -113.42 144.57 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HA ' HD23 ' A' ' 96' ' ' LEU . 21.7 ttp180 -98.12 136.63 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.739 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.6 tt -132.93 126.7 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.608 HG23 ' HG2' ' A' ' 94' ' ' GLU . 10.6 m -114.84 121.94 44.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.739 ' CG2' HD21 ' A' ' 88' ' ' LEU . 18.9 p -116.51 139.4 50.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -41.73 -31.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.24 -66.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.1 m -154.65 154.47 33.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.608 ' HG2' HG23 ' A' ' 89' ' ' THR . 4.4 tm-20 -92.21 143.8 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.499 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 6.8 m -152.86 -179.32 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 87' ' ' ARG . 19.1 mt -129.13 156.66 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 85' ' ' VAL . 96.4 m-85 -141.25 122.52 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.443 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 57.6 tt0 -103.09 161.99 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.22 -176.29 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -96.52 -61.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.38 146.28 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -45.95 -49.36 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.05 -53.92 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -40.68 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -60.95 -49.09 78.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.27 -50.37 73.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.11 -43.17 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.777 ' CE2' HD11 ' A' ' 15' ' ' LEU . 36.2 m95 -65.63 -52.42 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 1.065 HG23 HG21 ' A' ' 73' ' ' ILE . 84.3 mt -49.67 -52.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -65.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.469 HG21 ' HB2' ' A' ' 11' ' ' LYS . 32.3 m -41.17 -59.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.93 -55.62 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.33 -44.38 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.24 -48.14 71.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -64.84 -38.43 90.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 97.0 p -84.4 45.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.8 0.333 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.52 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 24.8 tttp -153.72 163.73 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.87 157.39 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.86 163.68 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.645 ' O ' HD23 ' A' ' 15' ' ' LEU . 94.2 m95 -70.84 124.98 25.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.855 HD11 ' CE2' ' A' ' 108' ' ' TRP . 45.1 mt -144.94 149.38 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -84.75 104.39 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 13.5 t80 -94.09 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HD3' ' CD2' ' A' ' 35' ' ' TRP . 36.3 ttp180 -123.48 99.86 39.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.81 139.59 40.42 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.0 -45.51 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.699 ' CH2' HD13 ' A' ' 96' ' ' LEU . 88.1 m95 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -114.58 117.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -89.13 106.28 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.7 ptm -143.8 139.51 29.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -49.54 109.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 38' ' ' MET . 97.7 t -99.34 127.39 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.55 138.21 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -111.31 105.93 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -112.29 105.13 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.17 -98.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.413 ' O ' HG22 ' A' ' 68' ' ' VAL . 8.3 m-70 -126.63 13.04 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -121.57 143.48 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -107.05 111.76 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 52.1 m-85 -103.11 113.07 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 49' ' ' LEU . 3.0 mp -97.81 156.21 16.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -143.87 134.86 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.53 -23.3 67.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -140.68 179.43 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 tttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.765 0.235 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.7 ' CG2' HG21 ' A' ' 90' ' ' THR . 20.2 mt -110.79 114.3 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 t -73.7 103.23 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 45' ' ' HIS . 5.6 m -69.92 -10.96 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 63.2 t30 -44.07 105.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.7 49.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.4 p -97.42 170.32 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 72' ' ' LEU . 5.8 tt -125.86 115.55 20.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.5 mt -104.77 147.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -163.06 124.97 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' SER . 64.4 mt -45.7 95.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.561 ' HB3' HG13 ' A' ' 85' ' ' VAL . 33.6 t -35.02 150.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.484 ' CD2' ' HB3' ' A' ' 79' ' ' GLU . 34.4 p90 -48.74 174.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.8 p -95.26 -28.95 14.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 77' ' ' TYR . 4.9 tp10 -37.84 -46.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.428 HG21 HG11 ' A' ' 85' ' ' VAL . 5.6 t -54.24 137.86 40.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.418 ' C ' ' HG3' ' A' ' 82' ' ' ARG . 31.7 tttt -77.4 46.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NH2' ' CD1' ' A' ' 35' ' ' TRP . 34.1 mtt-85 -144.25 129.6 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -99.22 145.22 27.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 71.53 40.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 76' ' ' SER . 9.5 p -113.45 128.63 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 0.9 OUTLIER -111.18 144.49 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.638 ' HA ' HD23 ' A' ' 96' ' ' LEU . 43.5 ttp180 -101.91 128.67 48.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.797 HD21 HG23 ' A' ' 90' ' ' THR . 1.9 tt -122.9 136.24 54.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 94' ' ' GLU . 25.1 m -125.27 115.56 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.797 HG23 HD21 ' A' ' 88' ' ' LEU . 28.0 p -103.55 153.6 20.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -51.57 -31.92 26.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.44 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -153.46 174.09 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.504 ' HG3' HG23 ' A' ' 89' ' ' THR . 1.1 mp0 -102.89 154.2 19.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.421 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 14.9 p -167.9 158.45 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 ' CH2' ' A' ' 35' ' ' TRP . 7.6 mt -109.15 165.95 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.4 m-85 -149.85 124.62 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.477 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 64.5 tt0 -115.05 153.6 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.21 173.73 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.94 -59.97 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -122.17 159.56 26.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -41.07 -64.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.7 -53.24 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -39.77 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.438 ' SD ' HD12 ' A' ' 106' ' ' LEU . 15.4 tmm? -63.24 -54.06 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.438 HD12 ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER -60.68 -52.3 65.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.35 -51.43 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.855 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.2 m95 -57.06 -61.71 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.5 mt -40.6 -53.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -53.37 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.0 m -40.78 -62.26 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.7 mt -53.99 -63.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.5 -39.56 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.52 -44.34 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -59.85 -37.84 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.5 p -79.6 -40.44 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 t30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.825 0.345 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.01 -48.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 35.1 tttp -152.99 165.85 34.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HB2' HG22 ' A' ' 41' ' ' VAL . 12.9 pt-20 -164.1 149.56 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.24 156.96 8.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.692 ' O ' HD23 ' A' ' 15' ' ' LEU . 82.9 m95 -67.85 131.26 45.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 14' ' ' TRP . 31.7 mt -151.85 153.82 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.588 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 82.2 m-70 -88.75 108.43 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 7.1 t80 -94.97 115.26 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 23.6 ttp180 -126.02 97.06 35.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.79 142.75 48.66 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' CG ' ' A' ' 94' ' ' GLU . 83.0 mt -90.61 -30.37 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.528 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 51.5 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.779 0.323 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -134.42 106.81 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.47 99.59 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.498 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.8 ptm -142.86 136.88 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -46.3 118.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 38' ' ' MET . 70.7 t -111.03 119.6 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 12' ' ' GLU . 89.2 t -114.06 142.03 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.1 tp -108.4 105.46 15.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -114.17 105.44 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -103.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.99 12.27 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -123.18 139.4 54.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' A' ' 40' ' ' VAL . 11.3 mt -100.93 112.92 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -99.85 114.61 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' HB3' ' HE2' ' A' ' 38' ' ' MET . 5.0 mp -96.96 153.06 18.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 42.4 m-85 -146.93 119.38 8.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.23 -31.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.28 179.65 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tttm . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.769 0.237 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.766 HG22 HG21 ' A' ' 90' ' ' THR . 9.0 mt -119.98 118.01 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 p -71.2 116.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 17.0 m -82.27 -19.72 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 2.3 t30 -38.91 109.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 71.9 47.11 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 68' ' ' VAL . 3.7 p -92.91 174.81 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.85 102.31 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.759 HG21 HG23 ' A' ' 109' ' ' ILE . 37.6 mt -93.63 142.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 20.1 m-20 -163.21 123.67 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.5 mt -45.64 103.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.607 ' OG ' HD22 ' A' ' 96' ' ' LEU . 2.5 m -39.99 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.425 ' O ' HG22 ' A' ' 80' ' ' THR . 9.8 p90 -55.9 129.23 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -58.39 -24.55 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -46.31 -37.07 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 80' ' ' THR . 6.0 t -65.31 114.12 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -43.82 -23.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.528 ' NH2' ' CG ' ' A' ' 16' ' ' HIS . 32.3 mtp85 -73.7 123.49 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -93.29 -178.68 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 38.23 48.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 97' ' ' PHE . 13.2 p -123.02 127.4 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 1.1 p90 -117.82 139.0 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.527 ' HA ' HD23 ' A' ' 96' ' ' LEU . 4.4 ttp-105 -91.32 129.7 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -123.76 133.65 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 m -123.15 126.51 47.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.766 HG21 HG22 ' A' ' 66' ' ' ILE . 2.6 p -109.94 140.07 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -42.06 -31.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.71 -59.07 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.35 177.77 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.52 ' CG ' HD12 ' A' ' 20' ' ' LEU . 51.5 tt0 -123.55 142.86 50.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -157.17 159.53 37.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD22 ' OG ' ' A' ' 76' ' ' SER . 88.1 mt -104.74 171.7 7.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.1 m-85 -152.49 146.63 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.588 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 56.8 tt0 -134.1 147.4 50.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.03 170.1 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -71.61 -45.02 63.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -140.96 153.5 45.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -41.74 -61.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -39.83 -59.67 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OE1' ' A' ' 100' ' ' GLU . 3.6 m-20 -50.55 -42.44 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.461 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 55.9 ttp -59.59 -64.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -37.79 -44.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.81 62.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.636 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.2 m95 -55.64 -59.51 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.759 HG23 HG21 ' A' ' 73' ' ' ILE . 85.9 mt -42.35 -48.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' THR . 16.8 ttpp -62.31 -68.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 88.4 m -38.13 -60.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.5 mt -53.29 -63.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -42.82 -42.43 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.03 -45.38 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -56.09 -52.02 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -50.57 62.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.82 0.343 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -35.35 -45.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HB2' HG21 ' A' ' 111' ' ' THR . 18.7 tttp -157.45 162.84 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.79 151.26 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.34 153.94 7.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 89.1 m95 -68.16 115.53 7.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 108' ' ' TRP . 35.5 mt -136.09 148.12 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.424 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 90.2 m-70 -86.0 110.63 19.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.0 t80 -94.31 119.32 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 16.8 ttp180 -132.1 99.78 16.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.476 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.1 Cg_endo -69.73 151.65 69.28 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 20' ' ' LEU . 2.9 mm? -86.56 -64.01 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.427 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 68.6 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.898 0.38 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' NZ ' ' HD2' ' A' ' 19' ' ' PRO . 10.2 mttp -125.94 115.3 19.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -84.85 102.76 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.1 ptm -145.0 124.48 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' TYR . 8.9 t80 -42.59 115.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.597 HG22 HD23 ' A' ' 49' ' ' LEU . 88.8 t -103.02 118.31 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.98 138.37 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 tp -105.33 110.69 23.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -120.48 100.1 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -103.17 1.8 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.422 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.568 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -126.48 10.56 7.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.2 m -121.09 145.37 47.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.521 HD22 ' CG1' ' A' ' 40' ' ' VAL . 10.5 mt -106.19 110.81 23.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -98.63 110.74 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.597 HD23 HG22 ' A' ' 40' ' ' VAL . 4.9 mp -96.87 154.4 17.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -149.09 143.08 25.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -73.51 -39.16 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.91 107.33 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.3 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.792 0.247 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.56 ' CG2' HG21 ' A' ' 90' ' ' THR . 16.4 mt -111.7 131.33 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.1 p -85.18 109.88 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 45' ' ' HIS . 30.0 m -77.29 -23.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' VAL . 41.9 t30 -34.54 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 66.74 45.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -91.67 170.37 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.1 mt -125.99 102.66 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 39.6 mt -92.36 145.21 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 45.6 m-20 -163.29 125.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.4 mt -47.2 105.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ILE . 23.4 p -33.84 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.834 ' HE1' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -51.27 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.6 t -79.88 -34.55 39.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -40.55 -45.51 2.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.834 HG23 ' HE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -47.47 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -49.33 -47.52 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -60.65 163.51 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.43 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -108.83 173.19 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.43 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 47.68 51.18 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.438 ' CG1' HD22 ' A' ' 96' ' ' LEU . 87.8 t -117.16 124.45 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.541 ' CD1' ' HG2' ' A' ' 105' ' ' MET . 1.2 p90 -117.16 132.42 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -88.63 123.57 33.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.613 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.1 tt -120.37 128.21 53.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -113.28 123.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.613 ' CG2' HD21 ' A' ' 88' ' ' LEU . 36.6 p -108.76 148.0 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -43.63 -27.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.62 -72.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -142.78 177.67 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.57 154.8 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.96 163.49 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.438 HD22 ' CG1' ' A' ' 85' ' ' VAL . 14.0 mt -107.0 171.69 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 75.2 m-85 -152.62 134.56 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.424 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 12.4 tt0 -121.48 135.69 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.8 173.44 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.2 -41.36 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -139.21 152.71 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -44.9 -65.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -40.86 -40.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.11 -48.24 76.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.541 ' HG2' ' CD1' ' A' ' 86' ' ' PHE . 15.6 tmm? -54.09 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.414 HD22 ' CE ' ' A' ' 105' ' ' MET . 4.6 mm? -53.42 -44.4 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 108' ' ' TRP . . . -51.66 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.817 ' CE2' HD11 ' A' ' 15' ' ' LEU . 49.0 m95 -36.51 -57.2 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.463 HD11 ' SD ' ' A' ' 105' ' ' MET . 88.4 mt -41.22 -58.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 22.8 ttmt -54.21 -69.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 11' ' ' LYS . 78.3 m -37.66 -62.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.463 HD11 ' HE3' ' A' ' 108' ' ' TRP . 16.6 mt -53.11 -57.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -47.0 -39.93 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.71 -48.09 80.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.2 m -63.18 -48.71 77.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 m -87.51 48.44 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.825 0.345 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -35.57 -45.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.672 ' HB2' HG21 ' A' ' 111' ' ' THR . 31.7 tttp -164.87 165.05 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -165.18 164.3 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.38 159.7 9.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.469 ' O ' HD23 ' A' ' 15' ' ' LEU . 93.6 m95 -67.82 110.11 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.88 HD11 ' CE2' ' A' ' 108' ' ' TRP . 33.3 mt -134.03 143.34 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -76.54 109.52 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.502 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.9 t80 -93.99 109.5 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -127.68 96.69 32.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.0 Cg_endo -69.76 141.35 45.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.489 HD12 ' CG ' ' A' ' 94' ' ' GLU . 46.2 mt -77.05 -47.35 20.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 81.0 m95 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.821 0.343 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -121.35 106.15 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -76.3 111.89 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.1 ptm -150.11 125.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.2 t80 -37.78 117.03 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG22 HD23 ' A' ' 49' ' ' LEU . 62.4 t -107.56 118.39 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.6 148.35 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 10' ' ' ALA . 61.0 tp -116.73 110.43 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -122.29 105.34 10.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.28 -106.92 2.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.37 12.66 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 m -124.88 138.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.616 HD12 HG11 ' A' ' 68' ' ' VAL . 10.9 mt -100.86 115.16 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -102.57 116.17 32.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.648 HD23 HG22 ' A' ' 40' ' ' VAL . 4.2 mp -98.9 159.14 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 40.3 m-85 -152.99 142.97 22.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -71.58 -38.92 70.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -117.35 162.53 17.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.722 0.218 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.536 ' CG2' HG21 ' A' ' 90' ' ' THR . 11.8 mt -109.92 115.74 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -63.53 103.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.616 HG11 HD12 ' A' ' 47' ' ' LEU . 5.2 m -92.89 23.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.28 -49.23 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.45 65.83 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -96.55 150.6 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.49 105.66 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.497 HG21 HG23 ' A' ' 109' ' ' ILE . 37.4 mt -89.41 143.04 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -161.57 117.82 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 59.8 mt -38.25 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' ILE . 53.6 p -36.29 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.46 163.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -105.73 48.73 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.7 -57.63 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -44.84 141.72 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HE2' ' C ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.06 50.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.409 ' NH2' ' OE1' ' A' ' 98' ' ' GLN . 19.7 mtp85 -138.89 138.48 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -109.54 153.6 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.61 41.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.507 HG22 ' HG3' ' A' ' 98' ' ' GLN . 60.4 t -120.96 131.03 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.466 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 1.5 p90 -124.34 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.66 ' HA ' HD23 ' A' ' 96' ' ' LEU . 41.4 ttp180 -92.77 133.51 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.653 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.0 tt -126.22 137.09 53.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -125.23 122.98 38.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.653 ' CG2' HD21 ' A' ' 88' ' ' LEU . 19.1 p -112.49 144.58 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.7 t -37.7 -35.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.36 -69.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.7 m -147.26 177.06 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.489 ' CG ' HD12 ' A' ' 20' ' ' LEU . 17.2 tt0 -106.87 153.86 21.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 17' ' ' PHE . 45.3 t -163.96 162.3 23.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 87' ' ' ARG . 38.7 mt -111.97 169.81 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -151.26 136.04 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.507 ' HG3' HG22 ' A' ' 85' ' ' VAL . 60.8 tt0 -117.1 155.99 28.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.8 -178.31 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.42 -43.5 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -136.72 151.32 49.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.454 ' O ' HD23 ' A' ' 106' ' ' LEU . 26.0 ttt85 -41.75 -58.41 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.81 -52.34 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -57.19 -42.8 81.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -61.47 -50.65 71.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.1 mm? -56.44 -43.32 79.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.25 -69.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.88 ' CE2' HD11 ' A' ' 15' ' ' LEU . 26.3 m95 -38.3 -56.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.497 HG23 HG21 ' A' ' 73' ' ' ILE . 73.0 mt -42.55 -56.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -56.68 -59.93 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.672 HG21 ' HB2' ' A' ' 11' ' ' LYS . 94.9 m -43.15 -59.23 2.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.425 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.9 mt -57.68 -55.04 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.438 HE21 ' CG2' ' A' ' 109' ' ' ILE . 15.8 mt-30 -50.12 -34.42 22.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -72.9 -49.34 30.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -58.39 -37.69 75.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.8 p -73.94 -49.63 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.819 0.342 . . . . 0.0 111.059 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.4 -45.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 30.5 tttp -160.0 152.5 21.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -150.76 150.82 31.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.07 157.02 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.531 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.777 ' O ' HD23 ' A' ' 15' ' ' LEU . 91.0 m95 -67.65 132.45 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.932 HD11 ' CE2' ' A' ' 108' ' ' TRP . 30.8 mt -151.67 144.23 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -79.12 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.4 t80 -94.22 111.69 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 18.2 ttp180 -126.42 96.3 36.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.552 HD13 ' CD ' ' A' ' 94' ' ' GLU . 8.1 mp -82.67 -71.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.842 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.501 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 93.3 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -106.83 94.48 5.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -73.37 107.24 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.512 ' HG3' HD23 ' A' ' 49' ' ' LEU . 13.3 ptm -147.74 137.65 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' TYR . 10.8 t80 -48.68 112.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.537 HG22 ' HG ' ' A' ' 49' ' ' LEU . 75.4 t -100.79 123.97 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.34 135.75 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -106.39 114.15 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -125.98 101.55 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.58 -103.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -125.02 9.31 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 m -119.44 145.11 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -108.13 107.55 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -99.07 112.09 24.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.537 ' HG ' HG22 ' A' ' 40' ' ' VAL . 5.0 mp -93.0 166.68 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 49' ' ' LEU . 50.1 m-85 -151.33 139.26 19.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -65.07 -40.14 94.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.07 176.16 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.736 0.223 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.882 HG22 HG21 ' A' ' 90' ' ' THR . 57.4 mt -117.6 98.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 t -63.48 108.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ASN . 22.2 m -81.12 -22.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -36.85 109.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 72.16 48.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.441 ' C ' HD12 ' A' ' 72' ' ' LEU . 29.7 p -98.81 174.19 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.441 HD12 ' C ' ' A' ' 71' ' ' CYS . 7.5 mp -126.42 102.06 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.6 mt -93.08 139.75 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 9.6 m-20 -158.81 117.64 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 83.4 mt -39.32 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' ASP . 8.4 t -36.57 154.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.437 ' O ' HG22 ' A' ' 80' ' ' THR . 14.3 p90 -48.7 146.39 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 79' ' ' GLU . 80.8 p -80.2 -29.4 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.7 mm-40 -34.61 -42.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 77' ' ' TYR . 10.0 t -61.65 138.54 58.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -56.21 -43.04 78.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -55.03 144.23 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.69 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.7 ptpt -110.42 -179.89 3.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 36.9 50.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 83' ' ' LYS . 54.6 t -113.85 118.87 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.1 p90 -107.45 134.19 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.645 ' HA ' HD23 ' A' ' 96' ' ' LEU . 40.9 ttp180 -91.95 119.41 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.487 HD21 HG23 ' A' ' 90' ' ' THR . 2.1 tt -114.76 132.25 56.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 m -119.87 125.73 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.882 HG21 HG22 ' A' ' 66' ' ' ILE . 41.5 p -109.98 145.51 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.7 p -45.96 -22.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.18 -63.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.1 m -146.16 174.98 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.552 ' CD ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -111.44 151.65 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.501 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 8.5 p -163.68 170.58 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 87' ' ' ARG . 26.9 mt -119.45 169.47 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.3 m-85 -150.74 141.31 22.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.654 ' HB2' HG22 ' A' ' 85' ' ' VAL . 60.2 tt0 -129.43 138.83 51.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.61 172.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 100' ' ' GLU . 1.1 mp0 -77.63 -49.18 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' ARG . 6.0 m-20 -134.91 147.6 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 101' ' ' ASP . 34.9 ttt180 -35.12 -61.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.35 -44.99 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.47 ' SD ' HD12 ' A' ' 109' ' ' ILE . 16.4 tmm? -50.48 -56.85 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.416 HD12 ' SD ' ' A' ' 105' ' ' MET . 4.8 mp -55.56 -44.53 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.37 -44.3 23.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.932 ' CE2' HD11 ' A' ' 15' ' ' LEU . 34.8 m95 -67.78 -57.73 5.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.47 HD12 ' SD ' ' A' ' 105' ' ' MET . 78.4 mt -45.3 -48.31 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -62.74 -67.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 11' ' ' LYS . 99.7 m -42.56 -55.74 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.7 mt -57.31 -53.59 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -52.09 -36.62 51.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.17 -49.28 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 m -58.3 -53.89 53.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.7 p -57.53 -46.93 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.782 0.325 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.42 -54.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.9 tttp -142.89 163.29 33.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -164.73 159.46 18.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.07 164.44 12.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.52 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 80.0 m95 -74.7 123.88 25.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' A' ' 108' ' ' TRP . 73.5 mt -145.63 146.38 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -80.01 109.34 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CD1' ' SG ' ' A' ' 95' ' ' CYS . 15.2 t80 -94.17 110.9 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 23.5 ttt180 -125.15 99.45 34.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.74 142.75 48.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 2.244 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 94' ' ' GLU . 72.2 mt -88.94 -51.72 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.585 ' HH2' HG21 ' A' ' 85' ' ' VAL . 56.0 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.878 0.37 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -121.69 106.92 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -73.1 113.92 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.441 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.0 ptm -154.0 126.83 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 13.3 t80 -41.83 115.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 38' ' ' MET . 81.0 t -104.45 123.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.6 t -118.76 141.2 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.05 108.34 19.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 13.3 mtp-105 -122.52 105.33 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.62 -110.43 3.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -122.26 11.78 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.76 145.19 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -102.92 107.36 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -92.41 115.07 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 38' ' ' MET . 5.2 mp -97.18 163.74 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -154.29 139.44 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -22.31 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.94 134.44 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 8.0 tmtt? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.201 0 CA-C-O 120.812 0.255 . . . . 0.0 112.353 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.3 mt -119.85 123.98 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -77.43 104.73 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.8 m -71.26 -19.97 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.3 t-20 -39.06 112.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 71.92 47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.559 ' C ' HD12 ' A' ' 72' ' ' LEU . 7.6 p -98.23 170.3 8.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 71' ' ' CYS . 7.6 mp -130.72 102.49 6.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.534 HG21 HG23 ' A' ' 109' ' ' ILE . 38.6 mt -92.59 147.66 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -162.74 126.31 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' SER . 58.9 mt -45.8 103.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.71 ' OG ' HD22 ' A' ' 96' ' ' LEU . 24.1 m -35.24 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -45.9 163.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -101.64 55.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -134.25 -33.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 82' ' ' ARG . 14.1 t -56.17 157.96 4.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 25.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.596 ' H ' HG23 ' A' ' 80' ' ' THR . 26.8 mtp85 -129.71 127.04 39.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -98.23 155.53 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.2 27.08 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 76' ' ' SER . 9.1 p -101.68 127.26 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -111.68 138.68 47.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.686 ' HA ' HD23 ' A' ' 96' ' ' LEU . 33.6 ttp180 -93.56 121.93 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.659 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.0 OUTLIER -115.1 136.48 53.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.788 HG23 ' HG3' ' A' ' 94' ' ' GLU . 8.1 m -120.65 128.37 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.659 ' CG2' HD21 ' A' ' 88' ' ' LEU . 16.9 p -119.89 155.8 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -55.57 -18.58 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -85.69 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.4 m -152.86 169.37 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.788 ' HG3' HG23 ' A' ' 89' ' ' THR . 12.1 mt-10 -95.45 155.27 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.588 ' SG ' ' CD1' ' A' ' 17' ' ' PHE . 48.1 t -167.65 162.27 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.71 HD22 ' OG ' ' A' ' 76' ' ' SER . 43.7 mt -117.34 168.61 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -151.51 122.48 7.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -95.93 141.95 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -116.02 150.59 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.59 -65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -121.94 155.45 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 106' ' ' LEU . 36.8 ttt85 -42.64 -64.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.3 m-20 -34.22 -61.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -45.94 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.511 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 14.0 tmm? -52.86 -59.86 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.478 ' CD2' ' HG2' ' A' ' 102' ' ' ARG . 3.8 mm? -51.94 -51.18 58.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.745 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.8 m95 -46.89 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 73' ' ' ILE . 61.1 mt -42.6 -51.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -56.13 -64.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 11' ' ' LYS . 59.1 m -43.6 -61.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.6 mt -54.75 -63.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -40.47 -42.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -65.45 -48.58 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.7 m -58.76 -37.52 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.9 p -77.77 -12.69 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.76 0.315 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.577 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -35.87 -46.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.67 ' HB2' HG21 ' A' ' 111' ' ' THR . 32.3 tttp -157.64 165.12 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -162.22 148.04 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.44 157.66 9.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 84.1 m95 -67.71 120.71 14.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' CE2' ' A' ' 108' ' ' TRP . 13.9 mt -141.86 150.37 41.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -86.52 104.46 16.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -94.21 111.48 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -122.18 97.25 45.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 136.56 33.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.718 HD12 ' CD ' ' A' ' 94' ' ' GLU . 88.2 mt -84.02 -50.15 8.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.827 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.734 ' CH2' HD13 ' A' ' 96' ' ' LEU . 59.0 m95 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.358 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -112.96 114.99 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.89 108.28 15.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.2 ptm -150.02 138.39 20.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' TYR . 31.8 t80 -54.73 112.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.566 ' HB ' HD12 ' A' ' 15' ' ' LEU . 71.0 t -97.2 122.39 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG22 ' CE2' ' A' ' 39' ' ' TYR . 48.9 t -119.54 128.96 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 10' ' ' ALA . 20.9 tp -98.86 109.98 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -119.64 117.75 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.53 -106.38 1.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -123.97 14.0 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m -126.39 146.14 50.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.79 114.91 29.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -105.57 104.83 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 49' ' ' LEU . 2.4 mp -90.84 168.02 12.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 39' ' ' TYR . 93.8 m-85 -157.61 133.78 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -51.45 -45.97 62.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.88 154.98 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 tttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.746 0.227 . . . . 0.0 112.328 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.795 HG22 HG21 ' A' ' 90' ' ' THR . 50.8 mt -117.05 98.42 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -53.26 120.21 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ASN . 15.3 m -104.03 -10.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -34.59 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.71 62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.507 ' HB3' HG22 ' A' ' 90' ' ' THR . 20.5 p -111.86 175.5 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.09 110.93 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.504 HD11 ' HB ' ' A' ' 112' ' ' ILE . 42.4 mt -87.52 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -163.23 122.38 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 76' ' ' SER . 63.2 mt -41.11 102.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.6 ' OG ' HG13 ' A' ' 85' ' ' VAL . 1.5 p -31.4 144.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.82 126.15 11.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -45.7 -24.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -39.96 -53.86 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.2 t -57.93 151.91 17.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -84.62 -36.84 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.43 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 59.2 mtt-85 -44.57 126.69 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -92.89 150.31 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 62.45 45.2 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.6 HG13 ' OG ' ' A' ' 76' ' ' SER . 7.4 p -113.8 136.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 1.3 p90 -123.78 132.92 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.632 ' HA ' HD23 ' A' ' 96' ' ' LEU . 61.0 ttp85 -90.61 120.95 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.655 HD21 HG23 ' A' ' 90' ' ' THR . 1.5 tt -111.89 134.82 53.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 60.4 m -125.86 120.58 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.795 HG21 HG22 ' A' ' 66' ' ' ILE . 34.9 p -107.75 140.91 40.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 t -43.08 -30.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -55.77 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -154.09 176.8 11.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.718 ' CD ' HD12 ' A' ' 20' ' ' LEU . 1.1 tm-20 -113.71 151.57 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.498 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 29.8 p -167.7 155.65 8.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.734 HD13 ' CH2' ' A' ' 35' ' ' TRP . 21.0 mt -102.0 170.21 8.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.558 ' HE2' HD22 ' A' ' 88' ' ' LEU . 58.4 m-85 -154.08 125.38 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.43 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 41.4 tt0 -114.05 140.7 48.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -108.31 -177.79 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -98.24 -62.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.0 139.32 38.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -42.78 -57.25 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.28 -46.5 35.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -58.78 -44.7 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 13.5 tmm? -56.79 -55.03 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 106' ' ' LEU . 3.5 mm? -52.62 -39.9 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -55.74 31.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.718 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.8 m95 -49.2 -51.11 34.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.451 ' HA ' HD13 ' A' ' 73' ' ' ILE . 96.6 mt -48.4 -54.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -60.16 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.67 HG21 ' HB2' ' A' ' 11' ' ' LYS . 85.2 m -40.35 -63.13 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.504 ' HB ' HD11 ' A' ' 73' ' ' ILE . 15.7 mt -56.76 -59.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -42.49 -37.39 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.66 -50.28 45.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.7 p -54.56 -36.31 64.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.5 p -79.29 -30.7 43.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.833 0.349 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.18 81.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.546 ' HB2' HG21 ' A' ' 111' ' ' THR . 35.2 tttp -150.68 165.23 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -160.53 144.79 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.72 157.91 12.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -75.57 122.93 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.839 HD11 ' CE2' ' A' ' 108' ' ' TRP . 22.1 mt -143.54 149.33 37.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -78.69 110.87 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -94.19 116.24 28.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 36.8 ttp85 -134.32 96.15 15.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.75 141.63 45.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.63 -50.91 18.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.841 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 82.9 m95 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.835 0.35 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -107.29 102.52 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -75.94 108.56 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.2 ptm -147.1 136.74 22.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' TYR . 19.5 t80 -48.36 111.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 47' ' ' LEU . 81.4 t -100.27 122.5 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -112.54 137.81 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.8 112.33 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HD3' ' CD2' ' A' ' 48' ' ' TYR . 65.6 mtp180 -121.15 99.72 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.09 -97.18 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -124.83 11.71 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.8 m -121.56 144.58 48.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.452 HD22 ' CG1' ' A' ' 40' ' ' VAL . 9.6 mt -115.28 108.12 16.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 43' ' ' ARG . 83.3 m-85 -95.51 114.72 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 49' ' ' LEU . 3.7 mp -95.55 157.99 15.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' TYR . 81.5 m-85 -154.35 134.55 13.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -60.66 -41.83 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -133.58 129.3 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.458 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 64.6 tttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.747 0.228 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.79 HG22 HG21 ' A' ' 90' ' ' THR . 45.1 mt -115.09 102.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 p -54.71 107.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' ASN . 23.2 m -78.93 -21.56 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 6.3 t30 -37.66 115.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 70.92 44.3 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.3 p -95.81 -178.77 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mt -142.85 110.52 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.479 HG21 HG23 ' A' ' 109' ' ' ILE . 33.6 mt -97.6 144.4 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 17.5 m-20 -163.12 118.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.9 mt -42.24 99.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' ILE . 27.0 t -35.69 149.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 27.7 p90 -36.48 142.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.7 m -87.89 51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -45.09 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.409 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 5.2 t -52.93 121.19 6.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -38.46 -38.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 133.63 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 2.8 mppt? -100.24 171.95 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER 46.03 50.25 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.38 121.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.5 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -115.93 130.55 56.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -90.76 124.78 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.676 HD21 HG23 ' A' ' 90' ' ' THR . 0.9 OUTLIER -118.69 133.44 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.0 m -118.62 123.84 45.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.79 HG21 HG22 ' A' ' 66' ' ' ILE . 57.5 p -107.93 140.49 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.6 t -40.28 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' THR . 34.1 t0 -82.51 -61.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.3 m -149.93 176.62 10.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -112.55 144.69 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.445 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 27.1 m -151.59 178.94 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.403 ' CD1' HH21 ' A' ' 18' ' ' ARG . 6.1 mt -124.9 165.81 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 65.8 m-85 -151.14 147.87 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.33 146.11 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.74 172.68 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.25 -42.92 35.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -142.37 152.56 42.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -39.23 -62.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.55 -54.2 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -59.22 -42.5 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.438 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 16.2 tmm? -54.81 -55.38 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.42 ' CD1' ' CE ' ' A' ' 105' ' ' MET . 3.3 mp -57.43 -49.47 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.26 -42.09 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.839 ' CE2' HD11 ' A' ' 15' ' ' LEU . 41.7 m95 -68.05 -58.26 4.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.479 HG23 HG21 ' A' ' 73' ' ' ILE . 95.3 mt -45.1 -48.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -59.52 -67.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.546 HG21 ' HB2' ' A' ' 11' ' ' LYS . 89.6 m -41.42 -61.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.527 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.2 mt -52.99 -64.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -41.13 -41.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.88 -46.96 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m -57.93 -42.89 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.39 43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.834 0.35 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.21 -49.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.522 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -158.65 154.5 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.62 153.57 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.6 148.49 5.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.479 ' O ' HD23 ' A' ' 15' ' ' LEU . 81.3 m95 -67.62 120.93 14.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 108' ' ' TRP . 14.5 mt -139.86 148.32 41.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.24 109.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -94.26 107.95 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.527 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 55.1 ttt180 -118.67 98.88 51.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 141.59 45.68 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.526 HD12 ' CG ' ' A' ' 94' ' ' GLU . 51.5 mt -84.42 -49.57 8.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.527 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 69.6 m95 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.826 0.346 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -131.63 93.38 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -61.71 111.83 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.53 ' HE2' ' HB3' ' A' ' 49' ' ' LEU . 19.4 ptm -153.48 132.25 12.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.5 t80 -46.05 116.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.519 ' CG1' HD22 ' A' ' 47' ' ' LEU . 53.7 t -107.03 121.1 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.51 135.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 tp -103.72 116.95 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -131.54 100.73 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.25 -107.22 2.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 68' ' ' VAL . 21.0 m80 -127.0 11.86 7.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -127.67 142.5 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD22 ' CG1' ' A' ' 40' ' ' VAL . 12.4 mt -100.73 119.8 39.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -103.18 102.85 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.53 ' HB3' ' HE2' ' A' ' 38' ' ' MET . 4.6 mp -85.73 153.85 22.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -72.17 -25.91 61.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -146.42 130.26 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 36.4 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.745 0.227 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.683 ' CG2' HG21 ' A' ' 90' ' ' THR . 12.1 mt -112.2 124.87 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 p -75.21 99.18 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' HIS . 13.6 m -71.97 -17.89 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.9 t30 -41.23 111.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.09 45.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -93.27 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -129.75 103.13 6.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 109' ' ' ILE . 40.8 mt -93.22 143.88 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -162.31 123.63 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' SER . 62.6 mt -42.22 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.491 ' OG ' HG12 ' A' ' 85' ' ' VAL . 3.4 m -36.84 155.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CD1' ' OG1' ' A' ' 80' ' ' THR . 9.1 p90 -50.06 179.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -91.39 -32.53 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.64 53.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.498 HG22 ' HD2' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -116.9 -4.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 tttt 50.17 26.39 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HB2' HG21 ' A' ' 85' ' ' VAL . 51.5 mtt85 -138.86 138.04 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -98.3 153.09 18.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER 60.38 38.62 19.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' A' ' 82' ' ' ARG . 71.2 t -107.17 137.01 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -129.15 139.52 51.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -91.41 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 90' ' ' THR . 2.5 tt -130.82 135.55 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.6 m -127.52 120.82 29.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.683 HG21 ' CG2' ' A' ' 66' ' ' ILE . 21.7 p -104.27 163.17 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 m -55.79 -33.54 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.93 -61.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 71.6 m -153.5 176.98 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.526 ' CG ' HD12 ' A' ' 20' ' ' LEU . 60.3 tt0 -111.18 160.39 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.7 p -163.24 175.79 10.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.5 mt -119.34 164.34 15.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.8 m-85 -150.53 140.79 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.565 ' HB2' HG22 ' A' ' 85' ' ' VAL . 36.8 tt0 -128.76 138.37 52.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.44 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -85.05 -36.09 21.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -141.04 153.25 45.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.577 ' O ' HD23 ' A' ' 106' ' ' LEU . 25.6 ttm180 -49.05 -49.26 42.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -54.86 -43.51 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.76 -43.72 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 10.1 ttp -58.62 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.3 mm? -52.26 -41.58 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.65 88.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.752 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.1 m95 -65.16 -54.22 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 73' ' ' ILE . 89.8 mt -48.07 -52.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.58 -61.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 11' ' ' LYS . 86.4 m -40.59 -57.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.27 -55.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.48 HE21 HG22 ' A' ' 109' ' ' ILE . 12.5 mt-30 -49.76 -32.34 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.91 -49.0 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -59.72 -46.53 88.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.7 p -64.55 -50.67 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.329 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.56 -45.03 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.527 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -161.9 159.21 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.461 ' HB2' HG22 ' A' ' 41' ' ' VAL . 20.8 pt-20 -156.43 156.89 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.49 165.42 15.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -76.49 124.01 26.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 108' ' ' TRP . 11.8 mt -142.21 153.53 44.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 61.5 m-70 -88.36 108.99 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -95.26 115.38 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.543 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 26.6 ttt180 -124.43 100.24 35.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.59 0.71 . . . . 0.0 110.808 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 53.5 Cg_endo -69.79 138.37 37.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 94' ' ' GLU . 9.1 mp -76.65 -54.7 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.552 ' NE1' ' NH2' ' A' ' 82' ' ' ARG . 49.4 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -124.45 91.91 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 27.6 tt0 -64.46 111.68 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.503 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.6 ptm -156.79 132.92 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CZ ' ' HD3' ' A' ' 53' ' ' LYS . 10.7 t80 -46.37 112.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.52 ' HB ' HD12 ' A' ' 15' ' ' LEU . 95.5 t -103.47 127.15 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.461 HG22 ' HB2' ' A' ' 12' ' ' GLU . 95.3 t -120.82 136.46 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -104.75 108.02 19.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -120.55 104.12 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.78 -105.66 1.85 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -125.99 14.08 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -124.03 138.91 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.91 106.36 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 46.2 m-85 -93.02 113.1 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -94.0 151.12 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 56.1 m-85 -148.24 138.68 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.46 -36.12 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -119.68 154.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 14.0 tptp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.458 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.745 0.227 . . . . 0.0 112.362 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.68 HG22 HG21 ' A' ' 90' ' ' THR . 50.7 mt -110.16 106.37 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 m -62.73 110.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' ASN . 30.6 m -81.22 -23.31 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.526 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 12.9 t-20 -37.36 115.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.04 42.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.5 p -95.58 170.59 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.2 mt -130.03 106.8 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.467 HD12 ' HG3' ' A' ' 113' ' ' GLN . 41.1 mt -93.3 149.71 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -161.4 130.44 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.0 mt -52.8 102.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.504 ' HB2' HG13 ' A' ' 85' ' ' VAL . 24.4 m -31.91 138.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -37.13 131.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -75.86 46.68 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -119.6 -43.13 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' ARG . 4.9 t -46.52 168.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' ARG . 11.8 ptmt -78.11 -47.95 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.552 ' NH2' ' NE1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -66.0 148.08 52.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -110.7 -174.56 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.452 ' C ' ' SD ' ' A' ' 105' ' ' MET . 2.9 m-80 44.18 25.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.539 HG21 ' HH2' ' A' ' 35' ' ' TRP . 5.0 p -98.06 124.78 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 1.4 p90 -111.49 155.7 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -109.38 153.23 24.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.722 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.4 tt -144.11 141.13 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.477 HG23 ' HG3' ' A' ' 94' ' ' GLU . 95.3 m -126.49 123.82 38.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.722 ' CG2' HD21 ' A' ' 88' ' ' LEU . 29.0 p -115.38 145.49 42.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -45.38 -22.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.83 -69.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 23.5 m -147.65 175.58 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.48 ' HB3' HD13 ' A' ' 20' ' ' LEU . 5.4 mp0 -105.25 155.44 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 31.5 p -168.07 176.02 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 75.7 mt -123.18 168.49 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.441 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 75.4 m-85 -151.08 127.93 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.493 ' NE2' ' HB2' ' A' ' 82' ' ' ARG . 33.4 tt0 -114.37 143.1 45.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -109.38 169.78 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.8 pt-20 -76.84 -46.61 24.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 6.1 t0 -131.43 158.99 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -49.19 -57.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -48.96 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -33.75 62.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.573 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 58.0 ttp -71.88 -54.78 8.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -48.38 -37.6 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.65 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.7 ' CE2' HD11 ' A' ' 15' ' ' LEU . 35.1 m95 -55.77 -54.23 46.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -47.59 -60.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -53.82 -62.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -42.69 -62.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.521 HD11 ' HE3' ' A' ' 108' ' ' TRP . 21.6 mt -54.81 -61.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.467 ' HG3' HD12 ' A' ' 73' ' ' ILE . 28.2 mt-30 -44.33 -37.97 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -68.47 -50.25 53.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.5 m -54.21 -47.2 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.7 p -62.02 -44.44 96.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 t30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.18 -44.0 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB2' HG21 ' A' ' 111' ' ' THR . 18.9 tttp -161.9 163.34 29.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -161.96 156.24 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.7 16.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.788 ' O ' HD23 ' A' ' 15' ' ' LEU . 97.4 m95 -70.97 132.22 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 14' ' ' TRP . 26.5 mt -153.33 155.95 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -91.33 106.48 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.18 110.69 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 56.8 ttt180 -124.74 95.69 42.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 53.8 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.86 -56.66 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.483 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 72.9 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.801 0.334 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -131.32 95.42 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.956 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -70.56 113.02 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.489 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.9 ptm -153.8 127.02 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 6.5 t80 -36.67 115.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 38' ' ' MET . 98.1 t -106.7 121.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.86 141.69 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.482 HD22 HG12 ' A' ' 112' ' ' ILE . 28.0 tp -116.61 113.03 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -123.88 94.89 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.45 -99.86 1.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.04 14.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -123.22 133.1 54.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' ' 40' ' ' VAL . 12.3 mt -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -108.25 109.32 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.409 HD23 ' HG3' ' A' ' 38' ' ' MET . 5.2 mp -92.67 161.6 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -150.82 138.94 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 8.2 ptpp? -66.21 -31.83 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 22.7 p-10 -145.67 124.7 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 29.5 pttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.759 0.233 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.85 HG22 HG21 ' A' ' 90' ' ' THR . 35.9 mt -103.91 103.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 110.84 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m -83.94 25.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -65.28 115.05 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.15 50.87 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.45 147.51 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tp -104.78 106.41 16.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.752 HG21 HG23 ' A' ' 109' ' ' ILE . 45.6 mt -94.22 145.7 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 8.4 m-20 -163.19 129.21 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' SER . 76.7 mt -48.51 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 75' ' ' ILE . 57.3 p -41.21 163.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -50.79 178.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.7 p -105.62 -26.62 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' SER . 9.1 mp0 -35.17 -55.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.8 t -59.03 135.05 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 9.9 mptt -60.3 -53.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' LYS . 57.4 mtt85 -34.5 121.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -95.23 170.57 9.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.89 39.95 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 97' ' ' PHE . 92.3 t -107.32 138.7 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.5 OUTLIER -128.24 143.58 51.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -96.9 127.2 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 90' ' ' THR . 1.1 tt -123.36 148.41 46.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.8 m -134.87 123.18 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.85 HG21 HG22 ' A' ' 66' ' ' ILE . 76.6 p -108.66 139.95 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -40.75 -25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' THR . 0.8 OUTLIER -82.28 -62.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.83 177.66 9.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -118.21 135.66 54.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.466 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 16.0 p -140.33 178.14 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.483 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 12.1 mt -123.37 154.47 38.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.765 ' O ' HG13 ' A' ' 85' ' ' VAL . 65.7 m-85 -138.07 152.8 49.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -137.15 138.92 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -107.77 170.01 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.3 pt-20 -79.99 -45.22 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 10.4 t0 -128.76 166.26 19.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.552 ' O ' HD23 ' A' ' 106' ' ' LEU . 53.2 ttt85 -57.74 -47.13 83.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -43.48 97.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.57 -42.34 74.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.585 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 45.7 ttp -67.17 -53.68 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.1 mm? -47.97 -45.07 30.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.23 76.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.536 ' CE2' HD11 ' A' ' 15' ' ' LEU . 46.2 m95 -62.5 -55.29 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.752 HG23 HG21 ' A' ' 73' ' ' ILE . 84.1 mt -47.25 -53.09 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -60.85 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 11' ' ' LYS . 97.1 m -42.58 -61.87 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.482 HG12 HD22 ' A' ' 42' ' ' LEU . 20.0 mt -54.89 -56.71 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -47.87 -37.89 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.86 -44.87 88.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 m -62.96 -48.3 79.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.6 p -71.57 -26.43 62.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.787 0.327 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.77 -48.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HB2' HG21 ' A' ' 111' ' ' THR . 16.0 tttp -157.21 158.11 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.34 151.2 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.39 163.68 17.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' O ' HD23 ' A' ' 15' ' ' LEU . 87.7 m95 -70.78 118.25 13.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 108' ' ' TRP . 56.1 mt -137.4 148.64 46.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 93.5 m-70 -85.65 105.65 16.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.8 t80 -94.0 114.58 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -128.94 99.63 21.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.72 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.73 140.75 43.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -80.56 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.482 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 77.9 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.845 0.355 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -114.81 88.79 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 37.9 tt0 -62.6 117.71 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.485 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 ptm -155.81 133.97 11.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -45.58 115.91 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 38' ' ' MET . 86.5 t -106.1 121.8 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.7 t -112.3 139.52 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 47' ' ' LEU . 31.5 tp -111.3 112.94 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -122.32 95.54 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 -100.39 1.0 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' VAL . 10.4 p-80 -124.74 14.1 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -123.73 134.18 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' LEU . 12.8 mt -104.2 113.73 27.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -103.74 116.42 32.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 49' ' ' LEU . 3.2 mp -101.14 158.37 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -147.29 126.75 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -42.62 -35.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.46 ' N ' ' HD2' ' A' ' 51' ' ' LYS . 42.7 p30 -144.93 -179.33 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tttm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.771 0.238 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 90' ' ' THR . 30.7 mt -109.6 127.92 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.0 p -78.15 90.58 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' HIS . 17.7 m -84.14 28.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.17 -43.05 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.12 54.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -90.56 144.06 26.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.64 105.39 15.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -88.54 149.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 76' ' ' SER . 18.8 m-20 -160.81 128.97 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.5 mt -48.12 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' ASP . 38.4 t -36.1 150.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -41.63 160.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLU . 78.9 p -93.17 -26.26 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' SER . 16.3 mm-40 -34.29 -46.85 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 80' ' ' THR . 8.9 t -63.44 112.4 2.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -40.25 -46.57 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.71 145.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -120.66 153.11 37.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 37.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.99 146.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.9 OUTLIER -143.58 140.69 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.597 ' HG3' HD21 ' A' ' 96' ' ' LEU . 17.2 mtp180 -88.55 161.29 17.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.669 HD21 HG23 ' A' ' 90' ' ' THR . 1.8 tt -155.96 128.33 7.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 94' ' ' GLU . 89.3 m -115.66 124.26 50.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.669 HG23 HD21 ' A' ' 88' ' ' LEU . 30.1 p -118.88 144.96 46.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.8 p -44.18 -27.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.29 -66.92 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.5 m -152.59 177.57 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 89' ' ' THR . 6.2 mt-10 -109.7 155.96 20.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.46 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 21.9 p -167.43 170.95 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.597 HD21 ' HG3' ' A' ' 87' ' ' ARG . 4.8 mt -114.36 160.45 19.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.583 ' HE2' HD22 ' A' ' 88' ' ' LEU . 82.5 m-85 -142.51 123.82 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.446 ' O ' HD22 ' A' ' 15' ' ' LEU . 33.5 tt0 -100.5 169.42 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.27 167.27 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.72 -67.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.4 t70 -122.88 152.85 40.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' ASP . 47.0 ttt180 -36.21 -53.18 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -51.18 -50.1 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.44 -43.36 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.583 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 59.5 ttp -60.47 -58.41 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.31 -42.95 42.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.1 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CE2' HD11 ' A' ' 15' ' ' LEU . 41.3 m95 -61.49 -57.46 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.4 mt -43.49 -54.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -58.37 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.534 HG21 ' HB2' ' A' ' 11' ' ' LYS . 86.8 m -43.35 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.525 HD11 ' HE3' ' A' ' 108' ' ' TRP . 15.6 mt -58.78 -64.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -41.11 -39.58 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.27 -46.51 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -64.42 -47.36 79.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.3 p -65.78 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.761 0.315 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.78 -49.15 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HB2' HG21 ' A' ' 111' ' ' THR . 31.3 tttp -150.27 162.99 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.625 ' CB ' HG22 ' A' ' 41' ' ' VAL . 7.4 pt-20 -164.23 161.65 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.78 166.64 14.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.531 ' O ' HD23 ' A' ' 15' ' ' LEU . 85.0 m95 -72.62 132.77 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.594 HD11 ' CE2' ' A' ' 108' ' ' TRP . 80.1 mt -157.64 141.56 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -76.71 107.39 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -94.2 110.32 22.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 65.7 ttt-85 -128.26 101.88 21.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 53.7 Cg_endo -69.73 140.61 43.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 ' CA ' ' A' ' 95' ' ' CYS . 4.1 mm? -69.14 -50.35 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.801 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 55.7 m95 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.807 0.336 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -105.94 114.59 28.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -86.16 112.23 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.418 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.4 ptm -151.81 137.68 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -49.79 115.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 38' ' ' MET . 99.3 t -103.68 124.53 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 12' ' ' GLU . 46.3 t -120.45 139.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -104.68 123.44 47.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -134.84 103.2 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.54 -109.97 2.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 68' ' ' VAL . 2.0 m80 -119.66 6.32 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -121.57 144.4 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.06 118.85 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -104.82 116.05 31.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.01 163.27 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -143.73 125.02 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -41.48 -44.14 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -145.87 165.99 27.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.731 0.221 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.668 HG22 HG21 ' A' ' 90' ' ' THR . 45.0 mt -119.61 116.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -73.46 104.91 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' HIS . 10.3 m -83.47 15.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.0 115.06 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.46 52.65 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.581 ' C ' HD22 ' A' ' 72' ' ' LEU . 1.9 p -90.64 173.74 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 71' ' ' CYS . 3.4 mm? -127.19 104.03 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.4 mt -96.07 142.97 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-20 -161.9 119.8 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 75.3 mt -35.5 98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' ILE . 18.6 t -35.28 152.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -42.27 165.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.7 p -111.7 66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.11 -35.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 81' ' ' LYS . 2.9 t -71.31 124.5 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 80' ' ' THR . 30.9 mtmt -34.54 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -41.37 139.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.35 162.47 17.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 62.23 48.8 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -114.33 135.4 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.568 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -120.85 132.69 55.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.406 ' HA ' HD23 ' A' ' 96' ' ' LEU . 26.7 ttp180 -88.76 135.11 33.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.3 tt -132.38 137.09 47.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.1 m -127.66 123.91 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.668 HG21 HG22 ' A' ' 66' ' ' ILE . 19.0 p -107.34 146.76 31.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -41.13 -25.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' THR . 14.2 t70 -82.15 -70.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 m -143.85 177.62 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 95' ' ' CYS . 41.5 tt0 -110.27 153.83 24.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.433 ' CA ' HD23 ' A' ' 20' ' ' LEU . 3.5 m -155.69 -179.12 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 87' ' ' ARG . 23.6 mt -128.86 162.88 26.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 81.5 m-85 -149.09 132.5 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.538 ' O ' HD22 ' A' ' 15' ' ' LEU . 36.8 tt0 -110.19 148.38 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 146.88 47.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -63.04 -61.18 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.0 m-20 -122.86 147.97 45.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 101' ' ' ASP . 26.3 ttm180 -36.51 -61.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ARG . 24.3 t0 -37.42 -61.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.18 -50.05 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' LEU . 41.7 ttp -56.36 -70.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' MET . 4.6 mm? -37.27 -40.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CE2' HD11 ' A' ' 15' ' ' LEU . 53.5 m95 -55.81 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.5 mt -38.65 -54.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.94 -66.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.472 HG21 ' HB2' ' A' ' 11' ' ' LYS . 47.6 m -41.7 -60.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.467 HD11 ' HE3' ' A' ' 108' ' ' TRP . 24.1 mt -53.72 -61.01 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -45.2 -41.05 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -60.6 -44.33 96.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 m -75.07 -29.68 60.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.7 p -100.16 36.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.802 0.334 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.48 -44.92 55.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.483 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 17.5 tttp -158.79 163.53 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -162.97 136.52 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.54 159.34 22.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.458 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.548 ' O ' HD23 ' A' ' 15' ' ' LEU . 83.5 m95 -68.32 128.84 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 14' ' ' TRP . 22.9 mt -153.33 147.27 25.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -83.97 111.43 19.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -94.28 115.39 27.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -128.85 102.59 19.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 95' ' ' CYS . 53.7 Cg_endo -69.77 136.58 33.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 95' ' ' CYS . 4.4 mm? -68.74 -59.36 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -131.01 95.18 3.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.27 111.14 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 ptm -156.62 128.0 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 21.0 t80 -44.91 114.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t -100.25 118.82 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.07 132.46 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 tp -108.13 113.29 26.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -124.44 96.3 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.51 -102.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -124.87 13.45 8.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -122.92 136.18 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -107.46 107.34 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -96.01 121.87 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -102.88 156.91 17.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -148.81 136.28 20.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -43.55 -51.71 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 53' ' ' LYS . 11.5 t70 -137.92 167.02 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 25.1 tttp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.465 -0.162 0 CA-C-O 120.727 0.219 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.866 HG22 HG21 ' A' ' 90' ' ' THR . 53.3 mt -94.13 97.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 107.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 66' ' ' ILE . 30.5 m -101.75 26.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.21 -36.33 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.04 45.28 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.32 174.96 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -136.31 113.88 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.52 HD11 ' CG2' ' A' ' 112' ' ' ILE . 50.5 mt -97.56 141.63 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -157.65 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.8 mt -43.05 98.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' TYR . 38.4 t -43.62 145.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE2' ' HB ' ' A' ' 80' ' ' THR . 15.4 p90 -32.71 139.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -91.34 57.31 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -133.61 -35.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.579 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 8.2 t -56.69 123.44 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.0 mtpp -33.09 -41.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.493 ' HD3' ' NE2' ' A' ' 98' ' ' GLN . 4.5 mmp_? -44.97 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -137.07 146.7 45.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 49.28 55.03 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.81 128.99 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -113.48 137.37 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.64 129.87 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.582 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -124.26 131.48 53.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.546 HG23 ' HG3' ' A' ' 94' ' ' GLU . 88.4 m -123.11 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.866 HG21 HG22 ' A' ' 66' ' ' ILE . 17.0 p -114.43 139.68 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.6 t -39.45 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' THR . 5.2 t0 -76.12 -70.03 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.2 m -147.43 176.48 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.546 ' HG3' HG23 ' A' ' 89' ' ' THR . 3.3 mt-10 -105.53 156.09 18.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.585 ' N ' HD23 ' A' ' 20' ' ' LEU . 25.3 p -167.73 172.77 8.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.17 166.16 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -150.46 124.8 9.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.493 ' NE2' ' HD3' ' A' ' 82' ' ' ARG . 30.7 tt0 -102.62 153.11 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.473 ' N ' ' HG2' ' A' ' 98' ' ' GLN . . . -124.81 -177.68 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -105.7 -61.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -105.52 140.84 38.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -45.44 -44.74 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.53 -45.31 92.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.447 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 15.0 tmm? -55.29 -50.31 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.02 -45.89 89.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.31 -56.82 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.544 ' CE2' HD11 ' A' ' 15' ' ' LEU . 39.3 m95 -50.39 -53.24 30.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -45.87 -51.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 111' ' ' THR . 1.8 ttmp? -58.29 -70.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 110' ' ' LYS . 29.0 m -37.41 -58.73 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.52 ' CG2' HD11 ' A' ' 73' ' ' ILE . 16.3 mt -57.14 -56.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -47.75 -39.89 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.04 -45.94 89.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 p -69.33 -37.68 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.2 p -81.73 43.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.777 0.322 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.26 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.647 ' HB2' HG21 ' A' ' 111' ' ' THR . 26.6 tttp -154.3 169.01 24.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -163.57 152.51 14.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.46 157.59 8.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.882 ' O ' HD23 ' A' ' 15' ' ' LEU . 80.6 m95 -68.69 127.87 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.325 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 14' ' ' TRP . 22.2 mt -148.91 150.35 32.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 87.2 m-70 -86.42 109.67 19.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -94.22 109.0 20.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -123.95 97.56 40.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.2 Cg_endo -69.74 141.26 44.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD23 ' HG2' ' A' ' 94' ' ' GLU . 4.1 mm? -73.58 -46.4 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.846 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.675 ' CH2' HG21 ' A' ' 85' ' ' VAL . 77.9 m95 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.832 0.349 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -107.05 112.22 25.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 52.1 tt0 -86.16 107.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.7 ptm -147.51 132.68 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.438 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.4 t80 -44.62 116.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' HD22 ' A' ' 47' ' ' LEU . 93.7 t -105.24 118.39 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.03 137.93 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 tp -109.26 104.88 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -111.33 102.83 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -99.4 0.43 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -124.91 14.05 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 m -122.72 141.14 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.466 HD22 ' CG1' ' A' ' 40' ' ' VAL . 11.1 mt -105.39 111.42 24.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.48 102.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.484 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 4.2 mp -85.58 170.54 12.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 91.6 m-85 -160.87 129.56 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.82 -41.18 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.34 157.23 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 tttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.751 0.23 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.771 ' CG2' HG21 ' A' ' 90' ' ' THR . 36.1 mt -116.75 107.89 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 98.2 p -69.92 124.1 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 m -109.17 26.91 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.09 -37.52 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.29 51.41 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 p -94.29 177.33 5.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 mt -137.21 108.75 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 109' ' ' ILE . 36.4 mt -89.55 143.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -154.45 125.04 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.7 mt -47.72 106.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.673 ' CB ' HG13 ' A' ' 85' ' ' VAL . 4.6 p -29.77 143.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.47 158.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 m -86.39 54.43 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.76 -53.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.415 HG21 HG11 ' A' ' 85' ' ' VAL . 10.4 t -43.36 142.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.94 -27.72 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HD3' ' NE1' ' A' ' 35' ' ' TRP . 5.1 mpt_? -67.2 136.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -99.08 174.54 6.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 0.6 OUTLIER 41.35 39.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.675 HG21 ' CH2' ' A' ' 35' ' ' TRP . 8.4 p -110.36 129.64 65.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -119.57 139.22 52.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.416 ' HA ' HD23 ' A' ' 96' ' ' LEU . 18.1 ttp180 -88.9 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.734 HD21 HG23 ' A' ' 90' ' ' THR . 1.6 tt -128.02 130.65 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -116.96 118.68 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.771 HG21 ' CG2' ' A' ' 66' ' ' ILE . 31.9 p -107.67 141.78 38.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' THR . 3.8 t -38.53 -31.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' THR . 38.7 t70 -77.74 -66.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 77.2 m -145.62 177.57 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.429 ' HG2' HD23 ' A' ' 20' ' ' LEU . 42.2 tt0 -115.73 148.19 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 17.0 p -160.47 163.59 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 87' ' ' ARG . 5.3 mt -106.27 166.71 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.404 ' CE2' ' SG ' ' A' ' 95' ' ' CYS . 55.4 m-85 -147.34 129.04 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -107.83 140.66 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . . . -108.17 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -79.12 -38.4 36.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 102' ' ' ARG . 4.5 t70 -155.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' ASP . 37.4 ttp180 -34.28 -64.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.73 -49.32 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.66 -41.74 95.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.422 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 52.0 ttp -55.71 -62.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.7 mp -47.52 -54.6 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.59 -36.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.711 ' CE2' HD11 ' A' ' 15' ' ' LEU . 37.3 m95 -76.24 -51.81 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.474 HG23 HG21 ' A' ' 73' ' ' ILE . 88.5 mt -49.52 -46.31 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 21.5 ttmm -68.22 -65.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 11' ' ' LYS . 62.4 m -37.11 -56.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.583 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.9 mt -61.61 -55.46 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -47.46 -37.27 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.05 -42.79 95.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -71.59 -39.88 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.4 p -81.95 43.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.822 0.344 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -46.92 -45.78 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.1 tttp -157.05 165.89 34.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.94 161.39 25.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.31 160.43 9.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.655 ' O ' HD23 ' A' ' 15' ' ' LEU . 87.0 m95 -68.76 126.71 30.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.767 HD11 ' CE2' ' A' ' 108' ' ' TRP . 55.4 mt -149.09 152.43 36.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 99.4 m-70 -87.46 107.76 18.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.558 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 14.1 t80 -95.95 109.02 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 20.4 ttt180 -123.44 96.78 43.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.37 -37.49 32.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.875 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 92.2 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.802 0.334 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.43 90.84 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 57.6 tt0 -64.36 109.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 20.4 ptm -152.05 131.39 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 53' ' ' LYS . 4.3 t80 -43.28 120.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.636 HG22 HD23 ' A' ' 49' ' ' LEU . 75.8 t -110.11 120.08 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.81 145.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' A' ' 10' ' ' ALA . 19.2 tp -118.58 105.43 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 12.2 mtp-105 -116.66 119.21 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.02 -104.17 0.83 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -126.98 13.56 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 m -123.13 156.83 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.09 116.65 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.67 105.12 15.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.636 HD23 HG22 ' A' ' 40' ' ' VAL . 4.4 mp -88.05 169.43 11.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 56.8 m-85 -156.75 141.03 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 12.6 ptmt -61.64 -45.28 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.0 t0 -136.96 -178.41 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 18.7 tptp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.195 0 CA-C-O 120.772 0.238 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.509 HG22 HG21 ' A' ' 90' ' ' THR . 17.1 mt -114.28 123.55 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -76.5 104.89 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -69.86 -22.36 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.521 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.6 t-20 -38.55 111.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 72.69 40.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.96 139.4 31.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.67 103.98 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.516 HG21 HG23 ' A' ' 109' ' ' ILE . 42.1 mt -92.27 143.62 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -162.77 126.75 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 76' ' ' SER . 85.9 mt -46.04 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 75' ' ' ILE . 1.5 t -35.37 153.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -48.25 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.435 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 11.8 t -112.33 51.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -123.24 -62.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.938 HG23 ' NE ' ' A' ' 82' ' ' ARG . 1.8 t -47.51 137.02 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -71.75 90.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.938 ' NE ' HG23 ' A' ' 80' ' ' THR . 0.0 OUTLIER -159.35 178.48 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -144.11 133.87 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 63.41 52.75 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.579 HG21 ' HD3' ' A' ' 82' ' ' ARG . 93.3 t -113.37 133.12 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 1.2 p90 -123.03 133.73 54.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.548 ' HA ' HD23 ' A' ' 96' ' ' LEU . 20.9 ttp180 -88.8 120.14 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.798 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -113.18 130.33 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 117.65 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.798 ' CG2' HD21 ' A' ' 88' ' ' LEU . 11.1 p -108.69 139.2 43.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 72.4 m -37.4 -33.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' THR . 44.4 t0 -73.57 -69.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.85 178.9 6.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -125.02 130.81 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 16.2 p -145.68 173.0 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 87' ' ' ARG . 24.6 mt -115.63 170.14 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.568 ' O ' HG13 ' A' ' 85' ' ' VAL . 75.6 m-85 -148.7 140.59 23.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.551 ' O ' HD22 ' A' ' 15' ' ' LEU . 8.7 tt0 -111.85 165.69 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.17 149.93 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.38 -58.45 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.07 146.21 43.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -44.67 -60.05 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -39.54 -50.81 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.03 -46.9 82.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 14.8 tmm? -56.41 -55.82 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.42 HD22 ' SD ' ' A' ' 105' ' ' MET . 4.2 mm? -51.84 -42.33 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.72 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.767 ' CE2' HD11 ' A' ' 15' ' ' LEU . 51.7 m95 -60.08 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.516 HG23 HG21 ' A' ' 73' ' ' ILE . 61.0 mt -41.24 -52.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 11' ' ' LYS . 75.3 m -42.48 -60.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.5 mt -56.38 -57.03 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -47.0 -39.71 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.07 -49.44 77.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -58.99 -39.85 83.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 p -72.12 -25.38 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -128.68 164.4 23.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 t 54.94 44.7 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.88 -78.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t -50.85 122.96 8.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 p -58.54 156.1 11.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.842 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.78 171.98 48.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.489 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -122.87 26.29 8.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.525 ' HB2' ' HG2' ' A' ' 43' ' ' ARG . . . -127.51 122.53 33.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.079 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.68 -47.85 15.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.136 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.509 ' HB2' HG21 ' A' ' 111' ' ' THR . 30.9 tttp -149.29 158.98 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -156.45 148.81 23.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 166.24 155.03 8.57 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.552 ' O ' HD23 ' A' ' 15' ' ' LEU . 77.8 m95 -68.73 131.26 44.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.817 0.341 . . . . 0.0 110.914 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.622 HD11 ' CE2' ' A' ' 108' ' ' TRP . 11.1 mt -152.57 158.2 42.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.47 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 83.5 m-70 -91.3 111.3 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.532 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -97.1 110.81 23.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 62.7 ttt-85 -118.93 95.66 49.48 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.609 0.718 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.81 143.1 49.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.63 -39.91 26.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -170.51 149.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 p -117.37 -34.88 4.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -96.93 163.5 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -128.65 -33.17 2.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.79 35.12 4.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.549 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -139.55 130.67 26.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -95.77 96.36 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.17 148.24 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.32 73.75 0.28 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.46 155.01 9.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 t -51.03 156.04 1.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.437 HG22 ' HG3' ' A' ' 33' ' ' ARG . 4.3 mp -81.05 -37.35 15.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HG3' HG22 ' A' ' 32' ' ' ILE . 62.5 mtm180 -155.52 143.65 14.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.541 0.686 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -171.49 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.543 ' CD1' ' CZ ' ' A' ' 82' ' ' ARG . 93.5 m95 -49.8 120.02 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -104.73 132.81 50.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.47 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 40.9 tt0 -98.95 109.8 22.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.437 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.0 ptm -149.05 132.72 16.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.488 ' N ' ' O ' ' A' ' 50' ' ' TYR . 23.0 t80 -47.86 115.73 1.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 38' ' ' MET . 90.1 t -104.11 124.91 58.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -121.33 137.54 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.1 tp -106.54 106.83 17.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.525 ' HG2' ' HB2' ' A' ' 9' ' ' ALA . 97.1 mtt180 -116.48 105.81 12.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.34 -104.53 1.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -126.86 13.87 7.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 71.6 m -124.41 144.62 49.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -103.1 110.95 23.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -99.82 113.15 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mp -94.09 158.41 15.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 51.5 m-85 -151.73 133.47 14.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -67.23 -21.23 65.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -144.74 163.32 34.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -101.25 32.76 3.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -68.03 -48.9 64.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -149.09 132.57 16.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -102.39 -43.5 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' GLN . 76.4 p -34.51 -43.78 0.18 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.5 p -79.17 152.28 76.35 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.589 0.709 . . . . 0.0 111.175 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -179.92 3.24 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.717 2.278 . . . . 0.0 112.349 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 13.9 p -51.61 171.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.846 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -104.99 -55.82 2.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -122.64 -33.95 3.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' O ' ' CB ' ' A' ' 60' ' ' SER . 6.7 mm-40 -83.26 120.87 26.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -69.53 151.58 96.62 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 146.47 60.5 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.36 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.7 mt -115.63 134.89 57.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.169 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -83.13 134.2 35.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.0 m -114.05 -1.83 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -42.34 -38.95 1.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.52 60.68 1.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.3 p -102.83 176.21 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.7 mp -137.64 105.44 5.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 42.6 mt -92.08 144.76 8.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 76' ' ' SER . 15.9 m-20 -161.2 117.38 2.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 76' ' ' SER . 70.5 mt -37.5 95.98 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.678 ' HB3' HG13 ' A' ' 85' ' ' VAL . 47.8 t -34.84 149.9 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -45.74 153.66 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.6 m -94.97 44.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -113.75 -31.49 6.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 82' ' ' ARG . 9.0 t -70.78 126.68 30.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -42.7 -24.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.543 ' CZ ' ' CD1' ' A' ' 35' ' ' TRP . 38.5 mtt85 -72.66 122.33 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -100.67 151.42 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 51.0 m-20 66.18 39.93 4.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.678 HG13 ' HB3' ' A' ' 76' ' ' SER . 8.5 p -110.7 130.63 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.536 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.2 p90 -109.88 140.4 43.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.742 ' HA ' HD23 ' A' ' 96' ' ' LEU . 43.5 ttp85 -98.35 125.7 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.645 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.8 tt -118.38 131.74 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 79.1 m -124.32 111.08 15.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.645 ' CG2' HD21 ' A' ' 88' ' ' LEU . 10.4 p -92.94 149.36 21.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.7 p -53.27 -23.12 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -87.4 -54.35 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -147.02 177.64 8.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 tt0 -125.08 150.84 46.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -163.18 178.82 7.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.742 HD23 ' HA ' ' A' ' 87' ' ' ARG . 9.4 mt -124.69 168.35 13.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.536 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 86.9 m-85 -153.04 121.97 6.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 59.7 tt0 -102.52 159.48 15.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.52 175.44 9.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.081 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -93.49 -64.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.9 138.74 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -42.28 -54.57 3.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -48.66 -42.17 33.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.49 -46.41 76.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 21.4 ttp -54.86 -57.24 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.0 mt -46.89 -45.95 20.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.42 -54.07 15.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.079 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.6 m95 -55.88 -62.67 1.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.477 HD11 ' HB3' ' A' ' 86' ' ' PHE . 82.0 mt -39.38 -48.07 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' THR . 19.4 ttpt -63.78 -66.07 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 11' ' ' LYS . 88.6 m -37.19 -57.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 115' ' ' SER . 14.8 mt -60.18 -63.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -42.76 -30.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -74.15 -39.18 63.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' ILE . 3.6 m -68.2 -51.54 44.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.9 p -58.36 -51.73 68.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -51.05 163.91 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 18.7 mt -59.96 124.96 21.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -85.86 42.53 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.7 t -88.59 43.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -71.67 166.85 52.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 92.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.713 2.275 . . . . 0.0 112.305 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 81.4 p -106.38 42.15 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.0 p -116.24 146.93 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 67.4 p -36.67 -32.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' GLY . 3.6 m -127.77 113.71 16.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.37 53.2 0.11 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.522 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -112.27 -48.54 3.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 110.837 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -73.13 102.83 3.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.69 55.31 0.7 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -84.92 134.1 34.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.09 121.25 10.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.62 -49.73 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.564 ' HB2' HG21 ' A' ' 111' ' ' THR . 25.4 tttp -150.18 165.72 32.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -165.03 161.67 19.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.19 159.97 9.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.529 ' O ' HD23 ' A' ' 15' ' ' LEU . 89.0 m95 -70.02 111.07 5.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.776 0.322 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.958 HD11 ' CE2' ' A' ' 108' ' ' TRP . 38.5 mt -131.3 141.35 49.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.496 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 58.6 m-70 -79.93 107.83 13.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.865 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.17 110.09 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -125.01 97.91 37.22 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 0.0 110.877 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.78 141.6 45.57 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.372 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.583 HD23 ' HG2' ' A' ' 94' ' ' GLU . 4.1 mm? -73.59 -45.34 53.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.3 p -169.81 151.77 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.4 p -130.37 179.39 5.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -50.42 133.3 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -84.57 98.26 10.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 137.79 -0.45 2.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.749 ' O ' HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -97.1 64.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? 39.54 42.71 0.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.749 HG13 ' O ' ' A' ' 26' ' ' LYS . 17.4 m -116.76 50.19 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.74 -159.6 15.36 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.16 -106.86 2.93 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.6 m -138.84 137.57 36.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.6 mt -78.76 125.5 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 -89.75 153.7 47.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.6 Cg_endo -69.81 -176.4 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.343 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' PRO . 70.9 m95 -35.79 138.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -114.6 96.01 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -69.29 113.07 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 7.7 ptm -150.18 142.78 24.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' TYR . 11.5 t80 -54.49 110.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.535 HG22 ' HG ' ' A' ' 49' ' ' LEU . 53.7 t -99.5 127.48 52.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 85.8 t -119.34 131.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.0 tp -105.07 105.17 15.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.6 mtt85 -113.67 97.88 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.72 -99.29 1.11 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.499 ' O ' ' N ' ' A' ' 68' ' ' VAL . 1.4 p-80 -126.34 14.07 7.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 m -122.29 143.38 49.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.6 mt -108.93 106.89 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.956 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.407 ' CD1' ' HB3' ' A' ' 65' ' ' PRO . 69.7 m-85 -97.32 106.47 18.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.535 ' HG ' HG22 ' A' ' 40' ' ' VAL . 4.5 mp -90.85 155.53 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' TYR . 71.0 m-85 -148.39 138.45 22.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -74.49 -24.23 58.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -126.08 173.46 9.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.863 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 44.9 tttm -113.56 -22.35 10.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -53.11 -53.87 44.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -100.84 83.46 2.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -85.32 -26.27 26.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 68.4 m -65.52 -61.0 2.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.3 p -44.94 147.5 1.13 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.28 16.97 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 83.3 p -44.01 128.07 5.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -73.22 -69.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -99.58 -57.86 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -62.22 167.61 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -121.37 150.51 54.5 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.407 ' HB3' ' CD1' ' A' ' 48' ' ' TYR . 53.7 Cg_endo -69.72 143.11 49.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.289 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.3 mt -120.84 108.55 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -63.44 102.21 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' A' ' 45' ' ' HIS . 13.4 m -82.98 31.25 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 9.3 t30 -69.67 107.64 3.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 68.07 54.97 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.802 ' SG ' HG22 ' A' ' 90' ' ' THR . 58.1 m -111.04 171.7 7.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 73' ' ' ILE . 0.4 OUTLIER -109.18 155.32 21.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.433 ' N ' ' HG ' ' A' ' 72' ' ' LEU . 29.9 mt -143.8 137.58 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 73' ' ' ILE . 74.1 m-20 -146.59 141.31 26.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.455 ' O ' ' C ' ' A' ' 76' ' ' SER . 99.5 mt -61.02 102.89 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 75' ' ' ILE . 49.4 p -34.23 131.14 0.32 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.37 162.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -85.17 28.42 0.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -87.98 -58.73 2.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.7 t -47.65 140.18 6.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -80.02 46.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 17.2 mtp85 -140.08 153.4 46.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.793 ' O ' HG23 ' A' ' 85' ' ' VAL . 39.2 mtmt -108.24 176.94 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.6 OUTLIER 37.42 50.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 83' ' ' LYS . 78.5 t -120.53 131.92 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HD11 ' A' ' 109' ' ' ILE . 0.4 OUTLIER -123.41 141.58 51.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -101.0 128.45 47.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.58 HD21 HG23 ' A' ' 90' ' ' THR . 1.3 tt -119.41 139.23 52.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 90.5 m -124.68 127.84 47.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.802 HG22 ' SG ' ' A' ' 71' ' ' CYS . 44.8 p -113.21 153.71 27.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.181 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 t -50.84 -21.47 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -88.51 -69.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 99.1 m -141.41 172.17 13.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.583 ' HG2' HD23 ' A' ' 20' ' ' LEU . 41.1 tt0 -111.32 155.63 22.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.427 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 31.8 p -162.87 167.85 22.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mt -115.61 170.26 8.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.671 ' O ' HG13 ' A' ' 85' ' ' VAL . 75.3 m-85 -149.22 147.01 27.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.614 ' HB2' HG22 ' A' ' 85' ' ' VAL . 36.5 tt0 -133.2 138.27 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.32 -175.59 2.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -95.65 -49.86 5.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.449 ' OD1' ' CG ' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -124.48 149.92 46.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -42.07 -55.37 3.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -48.88 -51.83 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OD1' ' A' ' 101' ' ' ASP . 11.9 m-20 -54.26 -47.29 72.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 106' ' ' LEU . 12.8 tmm? -55.16 -70.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.457 ' N ' ' SD ' ' A' ' 105' ' ' MET . 50.9 mt -42.39 -46.63 4.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.906 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.0 -46.35 32.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.958 ' CE2' HD11 ' A' ' 15' ' ' LEU . 48.3 m95 -60.45 -66.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 86' ' ' PHE . 77.1 mt -37.21 -49.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.09 -66.57 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.564 HG21 ' HB2' ' A' ' 11' ' ' LYS . 80.9 m -39.28 -54.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.488 HD11 ' HE3' ' A' ' 108' ' ' TRP . 16.7 mt -61.61 -51.19 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -53.69 -34.14 57.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -65.61 -48.23 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.3 m -69.11 -41.77 76.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.7 p -83.86 56.02 3.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.802 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -159.05 119.12 3.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.6 mt -75.54 130.12 38.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -97.51 87.97 4.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.3 t -55.79 -44.08 77.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -92.59 142.34 15.96 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -19.14 36.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.29 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 93.8 p -50.14 147.33 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.0 t -159.6 128.73 5.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -76.68 173.71 11.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.361 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.6 m -154.92 150.26 27.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.96 47.5 46.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.454 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -52.7 -59.39 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -64.95 132.72 50.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.32 161.9 12.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.62 26.64 8.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.844 0.355 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.07 111.15 16.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -37.76 -43.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.477 ' HB2' HG21 ' A' ' 111' ' ' THR . 36.4 tttp -161.74 156.38 22.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -156.97 156.22 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.91 168.17 25.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.646 ' O ' HD23 ' A' ' 15' ' ' LEU . 82.6 m95 -78.63 122.03 25.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.716 HD22 ' O ' ' A' ' 98' ' ' GLN . 44.1 mt -144.28 143.69 31.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.561 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 87.4 m-70 -79.8 110.18 14.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.819 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.553 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 16.7 t80 -98.74 110.17 22.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -121.06 98.34 47.38 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.896 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.553 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.74 143.9 52.43 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.71 2.274 . . . . 0.0 112.34 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -98.34 -48.7 4.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.06 136.64 51.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.8 p -134.8 173.47 11.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 25' ' ' GLY . 4.9 m-20 -68.16 95.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -38.45 94.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' ASP . . . 81.61 -145.64 25.23 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.514 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.7 tptm 66.52 40.79 3.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.312 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 59.18 44.52 15.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.5 p -174.48 145.39 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.174 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.76 154.47 15.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -158.29 -133.04 1.49 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.5 m -94.12 -175.72 3.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.843 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.0 mm -53.13 134.84 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 28.7 mmm-85 -139.81 144.25 38.02 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.605 0.716 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 165.85 29.61 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.704 2.27 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.616 ' CH2' HD13 ' A' ' 96' ' ' LEU . 84.6 m95 -43.27 148.67 0.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -122.62 102.43 8.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -72.29 117.15 13.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.431 ' O ' HG23 ' A' ' 40' ' ' VAL . 7.3 ptm -153.34 126.15 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 53' ' ' LYS . 15.1 t80 -44.59 107.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 38' ' ' MET . 73.5 t -94.12 129.43 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 77.1 t -120.7 138.93 49.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.1 tp -113.31 108.72 17.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.0 mtm180 -118.75 112.86 20.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.18 -100.94 0.51 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -126.66 12.69 7.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 m -119.05 161.18 20.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -123.95 116.87 23.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -106.01 113.58 27.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.946 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 49' ' ' LEU . 2.6 mp -97.33 151.66 19.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -141.97 135.34 29.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -49.88 -28.96 7.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.466 ' HA ' ' CH2' ' A' ' 14' ' ' TRP . 3.8 p30 -161.14 132.26 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.845 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HG3' ' CE2' ' A' ' 39' ' ' TYR . 41.4 tttm -39.71 -55.33 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' GLU . 24.7 ptt180 -66.31 171.53 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' ARG . 12.7 pt-20 36.05 55.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.442 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 8.5 mm100 -46.31 -20.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.4 ' N ' ' C ' ' A' ' 55' ' ' GLU . 0.6 OUTLIER -74.98 53.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.1 p -86.06 156.65 57.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.56 0.695 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -19.96 35.49 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.338 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 62' ' ' GLU . 10.4 p -80.09 -21.94 42.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CD ' ' O ' ' A' ' 56' ' ' GLN . 46.6 mt-10 -34.83 -32.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 60' ' ' SER . 22.2 mt-10 -43.4 -50.28 6.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.5 mp0 -33.26 97.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' GLU . 12.0 pt20 -48.85 148.23 3.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.78 55.2 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.709 2.273 . . . . 0.0 112.349 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.635 ' CG2' HG21 ' A' ' 90' ' ' THR . 17.0 mt -95.86 110.77 24.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.0 t -64.7 111.4 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 69' ' ' ASN . 19.6 m -91.89 -7.13 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.1 t30 -35.57 -37.24 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.03 66.31 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.8 p -114.18 177.77 4.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 mt -135.05 111.76 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.41 HG21 HG23 ' A' ' 109' ' ' ILE . 34.2 mt -96.67 142.93 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -159.68 122.81 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.4 mt -44.34 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.401 ' OG ' ' CD2' ' A' ' 96' ' ' LEU . 58.8 m -41.04 159.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.642 ' O ' HG22 ' A' ' 80' ' ' THR . 24.2 p90 -57.85 139.42 54.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 80' ' ' THR . 73.8 m -63.04 -44.32 96.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.841 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -40.52 -26.67 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 77' ' ' TYR . 6.7 t -59.33 115.36 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.4 tttm -38.64 -44.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.516 ' HG3' ' CZ2' ' A' ' 35' ' ' TRP . 12.3 mmp_? -52.7 173.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -132.88 151.84 51.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 45.2 53.67 7.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.731 HG13 ' O ' ' A' ' 97' ' ' PHE . 91.8 t -109.49 133.17 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.545 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -115.91 129.84 56.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.483 ' CG ' ' OE2' ' A' ' 94' ' ' GLU . 27.4 ttp180 -90.1 125.74 35.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.759 HD21 HG23 ' A' ' 90' ' ' THR . 0.8 OUTLIER -117.9 136.48 53.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 13.0 m -121.71 120.07 33.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.759 HG23 HD21 ' A' ' 88' ' ' LEU . 19.4 p -109.76 139.87 44.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.2 t -41.66 -25.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 90' ' ' THR . 18.6 t0 -81.68 -66.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.3 m -148.73 167.97 24.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.483 ' OE2' ' CG ' ' A' ' 87' ' ' ARG . 8.1 tm-20 -102.11 159.24 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.439 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 18.0 p -167.31 159.2 12.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.616 HD13 ' CH2' ' A' ' 35' ' ' TRP . 12.3 mt -105.95 160.19 15.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.731 ' O ' HG13 ' A' ' 85' ' ' VAL . 50.0 m-85 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.716 ' O ' HD22 ' A' ' 15' ' ' LEU . 57.2 tt0 -115.78 165.95 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 98' ' ' GLN . . . -139.31 147.51 41.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -65.22 -61.15 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.456 ' O ' ' C ' ' A' ' 102' ' ' ARG . 63.6 m-20 -120.77 141.29 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.456 ' C ' ' O ' ' A' ' 101' ' ' ASP . 10.3 ttt85 -33.95 -55.75 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -42.84 -55.57 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -49.5 -51.9 33.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.459 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 51.8 ttp -49.41 -69.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.409 ' H ' ' CD2' ' A' ' 106' ' ' LEU . 4.1 mm? -38.94 -49.25 1.67 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.98 -53.33 42.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.71 ' CE2' HD11 ' A' ' 15' ' ' LEU . 40.7 m95 -57.88 -62.89 1.48 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.41 HG23 HG21 ' A' ' 73' ' ' ILE . 82.3 mt -39.59 -52.12 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -60.63 -65.83 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.477 HG21 ' HB2' ' A' ' 11' ' ' LYS . 91.1 m -38.5 -58.85 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.522 HD11 ' HE3' ' A' ' 108' ' ' TRP . 15.1 mt -59.11 -57.34 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -48.19 -32.41 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.86 -36.74 75.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -75.09 -38.85 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 73.7 p -86.89 39.93 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.0 125.38 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.1 mt -38.27 131.29 1.18 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -60.37 169.29 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.6 p -71.77 106.14 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 125.04 78.16 0.33 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.53 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 100.79 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.29 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -77.06 -56.66 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 125' ' ' GLY . 84.7 p -103.47 42.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 124' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -92.95 95.77 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -77.76 -56.32 4.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.59 67.65 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 t -119.69 138.66 53.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -111.74 41.04 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.45 171.98 39.28 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.453 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -90.37 25.06 2.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.815 0.341 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.17 120.56 27.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -40.53 -49.99 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.0 tttp -150.86 158.77 44.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -159.05 155.65 27.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.6 159.38 9.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.453 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -67.58 118.69 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.777 HD11 ' CE2' ' A' ' 108' ' ' TRP . 89.3 mt -138.19 142.43 40.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 93.1 m-70 -81.3 109.29 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.1 t80 -93.78 109.75 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 47.8 ttt85 -117.68 97.66 50.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.56 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.6 Cg_endo -69.76 141.83 46.29 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.421 ' HA ' HD23 ' A' ' 20' ' ' LEU . 9.4 mt -91.66 -55.38 3.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.91 144.31 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.0 p -134.94 -58.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.169 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -86.1 169.12 13.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 tttp -117.42 78.29 1.21 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.19 60.17 3.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -146.2 147.41 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.74 0.305 . . . . 0.0 110.914 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -97.91 44.45 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.7 p -116.5 -37.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.69 163.47 32.45 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.37 157.56 2.02 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.459 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.2 m -106.0 94.72 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.637 ' O ' HG22 ' A' ' 32' ' ' ILE . 10.0 mt 39.52 42.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -61.92 149.66 85.1 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.601 0.715 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 172.36 12.78 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.311 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.601 ' HH2' HG21 ' A' ' 85' ' ' VAL . 63.3 m95 -49.71 144.55 6.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? -112.38 114.0 26.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 47.6 tt0 -83.76 105.63 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.425 ' O ' HG23 ' A' ' 40' ' ' VAL . 11.7 ptm -147.11 125.33 12.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.4 t80 -40.76 114.99 0.52 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.473 HG22 HD23 ' A' ' 49' ' ' LEU . 70.0 t -103.18 121.79 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.8 t -115.72 139.76 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.2 tp -110.0 116.11 31.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -130.29 113.73 14.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.21 -115.08 5.85 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.501 ' O ' HG22 ' A' ' 68' ' ' VAL . 13.5 m80 -118.27 13.81 13.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.3 m -126.49 151.03 48.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.9 mt -107.72 122.65 47.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -109.94 111.92 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD23 HG22 ' A' ' 40' ' ' VAL . 5.0 mp -96.56 159.32 15.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.591 ' CD2' ' OE1' ' A' ' 56' ' ' GLN . 46.0 m-85 -152.12 135.44 15.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.2 -38.22 85.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -124.12 175.04 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -85.24 -55.29 4.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -52.34 158.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 61.87 50.44 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.591 ' OE1' ' CD2' ' A' ' 50' ' ' TYR . 1.5 tp-100 -90.96 17.46 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 56.9 p -77.74 -51.25 10.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.0 p -86.65 155.69 56.23 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.57 0.7 . . . . 0.0 111.143 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.1 Cg_endo -69.73 177.57 5.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 0.0 112.379 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 59' ' ' PRO . 8.6 t -35.61 127.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -67.73 -63.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -94.14 -61.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -57.87 170.14 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -118.66 153.33 52.19 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.568 0.699 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.01 49.57 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.332 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.0 mt -111.87 124.98 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.9 t -76.13 107.8 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 45' ' ' HIS . 11.3 m -88.25 -8.38 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 68' ' ' VAL . 1.0 OUTLIER -33.79 -43.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -128.96 64.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.6 177.51 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 tt -134.08 126.25 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 1.065 HG21 HG23 ' A' ' 109' ' ' ILE . 44.6 mt -108.7 145.48 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -162.44 122.91 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 76' ' ' SER . 79.8 mt -41.55 96.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.524 ' HB3' HG13 ' A' ' 85' ' ' VAL . 8.1 t -34.87 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.545 ' O ' HG22 ' A' ' 80' ' ' THR . 12.0 p90 -53.0 106.86 0.18 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.6 p -44.07 -23.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.78 -43.44 27.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 77' ' ' TYR . 9.1 t -52.67 116.84 2.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.111 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 80' ' ' THR . 9.1 ptpp? -33.87 -38.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 2.3 mpt_? -62.28 134.58 56.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -105.55 161.02 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.33 45.68 26.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.601 HG21 ' HH2' ' A' ' 35' ' ' TRP . 7.5 p -117.38 132.27 67.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.575 ' HB3' HD11 ' A' ' 109' ' ' ILE . 1.6 p90 -113.42 144.57 42.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.419 ' HA ' HD23 ' A' ' 96' ' ' LEU . 21.7 ttp180 -98.12 136.63 38.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.833 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.739 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.6 tt -132.93 126.7 32.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.608 HG23 ' HG2' ' A' ' 94' ' ' GLU . 10.6 m -114.84 121.94 44.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.739 ' CG2' HD21 ' A' ' 88' ' ' LEU . 18.9 p -116.51 139.4 50.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -41.73 -31.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.24 -66.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 37.1 m -154.65 154.47 33.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.608 ' HG2' HG23 ' A' ' 89' ' ' THR . 4.4 tm-20 -92.21 143.8 26.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.499 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 6.8 m -152.86 -179.32 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 87' ' ' ARG . 19.1 mt -129.13 156.66 43.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.468 ' O ' HG23 ' A' ' 85' ' ' VAL . 96.4 m-85 -141.25 122.52 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.443 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 57.6 tt0 -103.09 161.99 13.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.922 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.22 -176.29 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.109 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -96.52 -61.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.38 146.28 37.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -45.95 -49.36 15.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.05 -53.92 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.42 -40.68 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 8.1 ttp -60.95 -49.09 78.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.27 -50.37 73.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.11 -43.17 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.777 ' CE2' HD11 ' A' ' 15' ' ' LEU . 36.2 m95 -65.63 -52.42 51.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 1.065 HG23 HG21 ' A' ' 73' ' ' ILE . 84.3 mt -49.67 -52.33 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.27 -65.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.469 HG21 ' HB2' ' A' ' 11' ' ' LYS . 32.3 m -41.17 -59.66 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mt -53.93 -55.62 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.33 -44.38 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 -54.24 -48.14 71.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -64.84 -38.43 90.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 97.0 p -84.4 45.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -154.26 111.07 3.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 22.4 mt -42.8 136.35 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -120.42 -45.43 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -125.88 87.46 2.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -146.18 -72.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -27.64 26.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.649 2.232 . . . . 0.0 112.366 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.7 m 49.91 44.3 25.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 19.6 t -97.68 123.35 41.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.464 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 m 38.31 42.29 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.858 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -84.07 42.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.15 164.17 12.33 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.1 m 46.11 41.83 8.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.38 . . . . 0.0 110.881 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -107.87 115.86 30.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.812 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.41 -88.75 0.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.49 144.35 27.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.802 0.334 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.96 123.23 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.59 -45.52 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 24.8 tttp -153.72 163.73 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.87 157.39 16.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.86 163.68 11.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.645 ' O ' HD23 ' A' ' 15' ' ' LEU . 94.2 m95 -70.84 124.98 25.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.855 HD11 ' CE2' ' A' ' 108' ' ' TRP . 45.1 mt -144.94 149.38 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -84.75 104.39 14.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 13.5 t80 -94.09 113.01 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.416 ' HD3' ' CD2' ' A' ' 35' ' ' TRP . 36.3 ttp180 -123.48 99.86 39.07 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.65 0.738 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.551 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.81 139.59 40.42 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.352 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.6 mt -80.0 -45.51 18.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.3 p -160.92 153.7 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -126.34 -29.32 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 -156.09 147.36 22.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -75.32 88.98 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 50.62 54.55 20.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.493 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.96 102.34 10.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 50.0 44.59 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.9 m -107.71 149.65 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.99 -115.65 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.58 -71.75 0.24 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.2 p -81.69 166.71 19.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.83 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.2 mt -109.38 138.34 37.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.8 mtt-85 -55.89 132.95 73.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -178.84 2.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.69 2.26 . . . . 0.0 112.329 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.699 ' CH2' HD13 ' A' ' 96' ' ' LEU . 88.1 m95 -41.91 132.27 3.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -114.58 117.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -89.13 106.28 18.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.484 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.7 ptm -143.8 139.51 29.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -49.54 109.12 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 38' ' ' MET . 97.7 t -99.34 127.39 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.55 138.21 51.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.1 tp -111.31 105.93 14.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -112.29 105.13 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.17 -98.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.413 ' O ' HG22 ' A' ' 68' ' ' VAL . 8.3 m-70 -126.63 13.04 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -121.57 143.48 49.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.0 mt -107.05 111.76 24.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 52.1 m-85 -103.11 113.07 26.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 49' ' ' LEU . 3.0 mp -97.81 156.21 16.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -143.87 134.86 25.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -63.53 -23.3 67.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -140.68 179.43 6.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -96.49 31.47 2.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -70.86 163.99 26.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -37.88 117.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -85.66 27.1 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.6 p -72.7 -7.99 53.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.35 156.09 75.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.556 0.693 . . . . 0.0 111.196 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 60' ' ' SER . 53.2 Cg_endo -69.81 176.24 7.08 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.667 2.244 . . . . 0.0 112.335 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 59' ' ' PRO . 15.6 p -36.96 130.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.52 -67.6 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -108.29 -52.29 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.8 mp0 -59.61 167.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -108.51 152.31 42.03 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.605 0.717 . . . . 0.0 110.945 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.449 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.6 Cg_endo -69.76 144.97 55.71 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.704 2.269 . . . . 0.0 112.309 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.7 ' CG2' HG21 ' A' ' 90' ' ' THR . 20.2 mt -110.79 114.3 46.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.1 t -73.7 103.23 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 45' ' ' HIS . 5.6 m -69.92 -10.96 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.537 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 63.2 t30 -44.07 105.39 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.7 49.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.4 p -97.42 170.32 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 72' ' ' LEU . 5.8 tt -125.86 115.55 20.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 41.5 mt -104.77 147.69 10.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -163.06 124.97 2.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' SER . 64.4 mt -45.7 95.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.561 ' HB3' HG13 ' A' ' 85' ' ' VAL . 33.6 t -35.02 150.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.484 ' CD2' ' HB3' ' A' ' 79' ' ' GLU . 34.4 p90 -48.74 174.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.8 p -95.26 -28.95 14.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.484 ' HB3' ' CD2' ' A' ' 77' ' ' TYR . 4.9 tp10 -37.84 -46.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.428 HG21 HG11 ' A' ' 85' ' ' VAL . 5.6 t -54.24 137.86 40.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' C ' ' HG3' ' A' ' 82' ' ' ARG . 31.7 tttt -77.4 46.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.598 ' NH2' ' CD1' ' A' ' 35' ' ' TRP . 34.1 mtt-85 -144.25 129.6 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -99.22 145.22 27.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 71.53 40.99 0.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.561 HG13 ' HB3' ' A' ' 76' ' ' SER . 9.5 p -113.45 128.63 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 0.9 OUTLIER -111.18 144.49 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.638 ' HA ' HD23 ' A' ' 96' ' ' LEU . 43.5 ttp180 -101.91 128.67 48.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.797 HD21 HG23 ' A' ' 90' ' ' THR . 1.9 tt -122.9 136.24 54.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.504 HG23 ' HG3' ' A' ' 94' ' ' GLU . 25.1 m -125.27 115.56 20.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.797 HG23 HD21 ' A' ' 88' ' ' LEU . 28.0 p -103.55 153.6 20.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 t -51.57 -31.92 26.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -72.44 -62.59 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.7 m -153.46 174.09 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.504 ' HG3' HG23 ' A' ' 89' ' ' THR . 1.1 mp0 -102.89 154.2 19.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.421 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 14.9 p -167.9 158.45 10.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.699 HD13 ' CH2' ' A' ' 35' ' ' TRP . 7.6 mt -109.15 165.95 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.56 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.4 m-85 -149.85 124.62 9.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.477 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 64.5 tt0 -115.05 153.6 30.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -123.21 173.73 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -77.94 -59.97 2.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.943 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -122.17 159.56 26.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -41.07 -64.72 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.7 -53.24 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -39.77 82.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.438 ' SD ' HD12 ' A' ' 106' ' ' LEU . 15.4 tmm? -63.24 -54.06 43.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.438 HD12 ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER -60.68 -52.3 65.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.35 -51.43 3.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.855 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.2 m95 -57.06 -61.71 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.938 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 35.5 mt -40.6 -53.97 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -53.37 -66.22 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 88.0 m -40.78 -62.26 0.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.7 mt -53.99 -63.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.12 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -42.5 -39.56 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.52 -44.34 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 8.3 m -59.85 -37.84 80.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.5 p -79.6 -40.44 29.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -40.69 141.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -86.12 46.16 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 120' ' ' SER . 28.6 m-20 -44.25 135.34 4.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 119' ' ' ASN . 1.7 t -37.47 133.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -70.19 146.46 42.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.29 25.26 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.297 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.9 m -84.32 177.07 8.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.2 m -79.89 168.17 19.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -85.49 87.44 7.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.2 p -172.75 152.17 2.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.37 81.51 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.4 p -116.24 143.58 45.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -148.47 127.44 12.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.19 51.13 3.4 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -158.24 148.32 20.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.14 112.73 10.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.01 -48.29 21.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.08 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.453 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 35.1 tttp -152.99 165.85 34.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HB2' HG22 ' A' ' 41' ' ' VAL . 12.9 pt-20 -164.1 149.56 10.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 163.24 156.96 8.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.692 ' O ' HD23 ' A' ' 15' ' ' LEU . 82.9 m95 -67.85 131.26 45.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.823 0.344 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.692 HD23 ' O ' ' A' ' 14' ' ' TRP . 31.7 mt -151.85 153.82 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.588 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 82.2 m-70 -88.75 108.43 19.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 7.1 t80 -94.97 115.26 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.528 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 23.6 ttp180 -126.02 97.06 35.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.608 0.718 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.568 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.8 Cg_endo -69.79 142.75 48.66 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.638 2.225 . . . . 0.0 112.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD12 ' CG ' ' A' ' 94' ' ' GLU . 83.0 mt -90.61 -30.37 17.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 p -174.55 140.26 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 76.6 p -122.34 -28.53 4.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -136.2 163.39 30.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.99 -48.35 2.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -114.11 51.8 0.69 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.437 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -145.4 116.09 7.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.74 0.305 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -81.21 47.02 0.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 29' ' ' GLY . 12.2 p -77.84 -41.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -99.85 -87.07 1.93 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.529 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.6 -60.65 2.11 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.6 m -72.45 155.96 39.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 0.0 110.813 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.7 mt -107.0 130.84 58.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.4 mtp85 -124.16 150.47 63.53 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.565 0.697 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -165.02 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.673 2.249 . . . . 0.0 112.292 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.528 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 51.5 m95 -57.95 168.71 0.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -134.42 106.81 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -79.47 99.59 7.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.498 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.8 ptm -142.86 136.88 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.929 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.4 t80 -46.3 118.24 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 38' ' ' MET . 70.7 t -111.03 119.6 59.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG22 ' HB2' ' A' ' 12' ' ' GLU . 89.2 t -114.06 142.03 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.1 tp -108.4 105.46 15.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -114.17 105.44 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 71.52 -103.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -126.99 12.27 7.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -123.18 139.4 54.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD22 ' CG1' ' A' ' 40' ' ' VAL . 11.3 mt -100.93 112.92 25.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -99.85 114.61 27.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 50' ' ' TYR . 5.0 mp -96.96 153.06 18.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 42.4 m-85 -146.93 119.38 8.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.23 -31.8 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.883 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.28 179.65 6.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -99.38 35.8 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -57.07 -67.56 0.31 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -142.08 153.83 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 mp0 -123.0 25.63 8.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -105.49 -15.4 15.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 p -115.26 152.19 46.58 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 111.134 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.1 Cg_endo -69.77 159.54 53.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.644 2.229 . . . . 0.0 112.359 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 59' ' ' PRO . 71.7 m -37.1 121.72 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -65.28 -53.38 44.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -99.62 -57.78 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -67.19 170.89 6.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -116.16 152.82 48.25 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.637 0.732 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 145.96 58.86 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.766 HG22 HG21 ' A' ' 90' ' ' THR . 9.0 mt -119.98 118.01 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.6 p -71.2 116.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.401 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 17.0 m -82.27 -19.72 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.508 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 2.3 t30 -38.91 109.85 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 71.9 47.11 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 68' ' ' VAL . 3.7 p -92.91 174.81 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.1 mp -129.85 102.31 6.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.759 HG21 HG23 ' A' ' 109' ' ' ILE . 37.6 mt -93.63 142.14 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 20.1 m-20 -163.21 123.67 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 74.5 mt -45.64 103.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.607 ' OG ' HD22 ' A' ' 96' ' ' LEU . 2.5 m -39.99 159.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.425 ' O ' HG22 ' A' ' 80' ' ' THR . 9.8 p90 -55.9 129.23 38.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 81.0 p -58.39 -24.55 60.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.838 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -46.31 -37.07 6.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 80' ' ' THR . 6.0 t -65.31 114.12 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -43.82 -23.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.528 ' NH2' ' CG ' ' A' ' 16' ' ' HIS . 32.3 mtp85 -73.7 123.49 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -93.29 -178.68 4.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 38.23 48.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 97' ' ' PHE . 13.2 p -123.02 127.4 74.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.493 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 1.1 p90 -117.82 139.0 51.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.527 ' HA ' HD23 ' A' ' 96' ' ' LEU . 4.4 ttp-105 -91.32 129.7 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.512 HD22 ' HE2' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -123.76 133.65 53.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 m -123.15 126.51 47.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.766 HG21 HG22 ' A' ' 66' ' ' ILE . 2.6 p -109.94 140.07 44.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.3 t -42.06 -31.16 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.71 -59.07 2.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -144.35 177.77 8.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.52 ' CG ' HD12 ' A' ' 20' ' ' LEU . 51.5 tt0 -123.55 142.86 50.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -157.17 159.53 37.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD22 ' OG ' ' A' ' 76' ' ' SER . 88.1 mt -104.74 171.7 7.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 85' ' ' VAL . 63.1 m-85 -152.49 146.63 25.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.588 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 56.8 tt0 -134.1 147.4 50.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.03 170.1 8.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' OE1' ' CG ' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -71.61 -45.02 63.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -140.96 153.5 45.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -41.74 -61.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -39.83 -59.67 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.449 ' CG ' ' OE1' ' A' ' 100' ' ' GLU . 3.6 m-20 -50.55 -42.44 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.461 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 55.9 ttp -59.59 -64.29 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -37.79 -44.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.47 -52.81 62.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.636 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.2 m95 -55.64 -59.51 4.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.759 HG23 HG21 ' A' ' 73' ' ' ILE . 85.9 mt -42.35 -48.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 111' ' ' THR . 16.8 ttpp -62.31 -68.09 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' LYS . 88.4 m -38.13 -60.38 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 13.5 mt -53.29 -63.19 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -42.82 -42.43 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.03 -45.38 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 t -56.09 -52.02 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.4 t -66.46 -50.57 62.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -57.59 124.39 18.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -91.27 151.36 20.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -49.24 169.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.7 m 63.15 42.59 7.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -135.97 69.62 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 125.51 12.25 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 m -86.99 160.97 18.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 67.8 m -90.12 144.3 26.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 54.6 49.15 18.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.388 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.8 t -132.7 149.29 52.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.98 173.45 31.9 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.528 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.3 p -110.76 -40.23 4.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.7 m -110.81 120.94 44.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.78 88.8 0.13 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.443 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -66.0 90.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -165.39 115.86 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -35.35 -45.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.583 ' HB2' HG21 ' A' ' 111' ' ' THR . 18.7 tttp -157.45 162.84 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.79 151.26 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.34 153.94 7.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.431 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 89.1 m95 -68.16 115.53 7.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.788 0.328 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.817 HD11 ' CE2' ' A' ' 108' ' ' TRP . 35.5 mt -136.09 148.12 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.424 ' CD2' ' OE1' ' A' ' 98' ' ' GLN . 90.2 m-70 -86.0 110.63 19.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.476 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.0 t80 -94.31 119.32 32.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 16.8 ttp180 -132.1 99.78 16.13 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 110.859 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.476 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.1 Cg_endo -69.73 151.65 69.28 Favored 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.652 2.235 . . . . 0.0 112.378 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 20' ' ' LEU . 2.9 mm? -86.56 -64.01 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -128.11 11.09 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.12 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 21' ' ' VAL . 5.8 t -32.74 -36.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.153 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -63.62 91.29 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.855 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 25' ' ' GLY . 35.4 ttpt -100.84 155.21 18.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.455 ' N ' ' HG2' ' A' ' 24' ' ' LYS . . . 34.38 39.33 0.14 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -100.59 -28.44 12.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 110.856 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 52.63 54.98 9.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 87.9 t -116.13 129.15 73.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -55.16 -105.87 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.52 68.22 0.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.462 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 32' ' ' ILE . 1.2 m -63.31 -25.04 68.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.853 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' SER . 57.7 mt -34.22 123.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' CD ' ' HE3' ' A' ' 36' ' ' LYS . 2.2 ttp180 -137.86 143.6 40.7 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.595 0.712 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.443 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 53.5 Cg_endo -69.74 156.37 63.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.31 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.427 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 68.6 m95 -39.85 156.06 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' HE3' ' CD ' ' A' ' 33' ' ' ARG . 10.2 mttp -125.94 115.3 19.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -84.85 102.76 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.1 ptm -145.0 124.48 13.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' TYR . 8.9 t80 -42.59 115.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.597 HG22 HD23 ' A' ' 49' ' ' LEU . 88.8 t -103.02 118.31 49.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 69.9 t -113.98 138.37 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 tp -105.33 110.69 23.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -120.48 100.1 6.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.4 -103.17 1.8 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.422 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.568 ' O ' HG22 ' A' ' 68' ' ' VAL . 0.8 OUTLIER -126.48 10.56 7.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.2 m -121.09 145.37 47.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.521 HD22 ' CG1' ' A' ' 40' ' ' VAL . 10.5 mt -106.19 110.81 23.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -98.63 110.74 23.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.597 HD23 HG22 ' A' ' 40' ' ' VAL . 4.9 mp -96.87 154.4 17.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.454 ' O ' ' N ' ' A' ' 39' ' ' TYR . 47.7 m-85 -149.09 143.08 25.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -73.51 -39.16 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.91 107.33 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.3 tttt -38.42 -48.74 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -59.98 132.24 53.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 67.17 49.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.431 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . 13.5 pt20 -97.56 20.73 11.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.3 p -52.84 -57.68 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.0 p -75.44 157.82 84.15 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.554 0.692 . . . . 0.0 111.176 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.2 Cg_endo -69.76 175.97 7.38 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.371 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 59' ' ' PRO . 10.8 m -34.31 107.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -41.49 -71.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -95.79 -55.14 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 1.8 mp0 -54.42 176.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -123.46 152.59 65.01 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.599 0.714 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.35 53.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.56 ' CG2' HG21 ' A' ' 90' ' ' THR . 16.4 mt -111.7 131.33 63.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 94.1 p -85.18 109.88 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 45' ' ' HIS . 30.0 m -77.29 -23.37 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' VAL . 41.9 t30 -34.54 114.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 66.74 45.93 1.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -91.67 170.37 9.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 45.1 mt -125.99 102.66 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.409 ' O ' ' CG ' ' A' ' 74' ' ' ASP . 39.6 mt -92.36 145.21 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 45.6 m-20 -163.29 125.95 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.46 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.4 mt -47.2 105.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 75' ' ' ILE . 23.4 p -33.84 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.834 ' HE1' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -51.27 -176.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.6 t -79.88 -34.55 39.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -40.55 -45.51 2.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.834 HG23 ' HE1' ' A' ' 77' ' ' TYR . 0.7 OUTLIER -47.47 98.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -49.33 -47.52 47.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.9 mtp85 -60.65 163.51 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.43 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 0.0 OUTLIER -108.83 173.19 6.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.43 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 47.68 51.18 14.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.438 ' CG1' HD22 ' A' ' 96' ' ' LEU . 87.8 t -117.16 124.45 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.541 ' CD1' ' HG2' ' A' ' 105' ' ' MET . 1.2 p90 -117.16 132.42 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -88.63 123.57 33.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.613 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.1 tt -120.37 128.21 53.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.0 m -113.28 123.41 50.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.181 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.613 ' CG2' HD21 ' A' ' 88' ' ' LEU . 36.6 p -108.76 148.0 31.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 t -43.63 -27.22 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -80.62 -72.62 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 85.2 m -142.78 177.67 8.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -108.57 154.8 21.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 28.4 p -164.96 163.49 20.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.438 HD22 ' CG1' ' A' ' 85' ' ' VAL . 14.0 mt -107.0 171.69 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 75.2 m-85 -152.62 134.56 14.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.424 ' OE1' ' CD2' ' A' ' 16' ' ' HIS . 12.4 tt0 -121.48 135.69 55.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.8 173.44 6.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.2 -41.36 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -139.21 152.71 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -44.9 -65.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -40.86 -40.68 1.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.11 -48.24 76.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.541 ' HG2' ' CD1' ' A' ' 86' ' ' PHE . 15.6 tmm? -54.09 -49.83 68.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.414 HD22 ' CE ' ' A' ' 105' ' ' MET . 4.6 mm? -53.42 -44.4 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 108' ' ' TRP . . . -51.66 -68.81 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.817 ' CE2' HD11 ' A' ' 15' ' ' LEU . 49.0 m95 -36.51 -57.2 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.463 HD11 ' SD ' ' A' ' 105' ' ' MET . 88.4 mt -41.22 -58.31 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 22.8 ttmt -54.21 -69.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.583 HG21 ' HB2' ' A' ' 11' ' ' LYS . 78.3 m -37.66 -62.8 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.463 HD11 ' HE3' ' A' ' 108' ' ' TRP . 16.6 mt -53.11 -57.6 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -47.0 -39.93 13.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -62.71 -48.09 80.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.2 m -63.18 -48.71 77.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 6.7 m -87.51 48.44 1.65 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -118.19 127.18 53.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 17.8 mt -78.64 138.42 38.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -119.25 158.7 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.2 t -46.25 160.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -172.35 151.78 15.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -18.91 36.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.365 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.5 m -128.11 141.3 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.4 m -104.37 -58.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 t -119.44 121.48 39.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -91.53 168.64 11.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.03 -59.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -68.16 163.67 22.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.903 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -136.09 128.55 30.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.75 -146.87 18.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -116.59 26.33 9.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.806 0.336 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -146.5 112.41 5.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.069 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -35.57 -45.41 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.672 ' HB2' HG21 ' A' ' 111' ' ' THR . 31.7 tttp -164.87 165.05 20.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' C ' ' CD ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -165.18 164.3 20.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.38 159.7 9.79 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.469 ' O ' HD23 ' A' ' 15' ' ' LEU . 93.6 m95 -67.82 110.11 3.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.88 HD11 ' CE2' ' A' ' 108' ' ' TRP . 33.3 mt -134.03 143.34 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -76.54 109.52 10.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.502 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.9 t80 -93.99 109.5 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.6 ttt-85 -127.68 96.69 32.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.502 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 54.0 Cg_endo -69.76 141.35 45.01 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD12 ' CG ' ' A' ' 94' ' ' GLU . 46.2 mt -77.05 -47.35 20.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.949 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.06 146.5 25.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 p -124.27 -14.75 6.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -123.62 131.96 53.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -122.33 108.08 12.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.54 50.87 3.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -146.38 175.38 10.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.335 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -126.77 96.9 4.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.0 t -118.24 142.26 33.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.39 73.05 0.21 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -145.2 -176.02 18.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.8 m -117.59 157.34 26.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 41.2 mm -80.79 135.74 24.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -76.47 156.12 83.42 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.594 0.711 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.4 Cg_endo -69.74 165.23 31.66 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.313 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' PRO . 81.0 m95 -37.17 144.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -121.35 106.15 11.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -76.3 111.89 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.463 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.1 ptm -150.11 125.23 10.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.2 t80 -37.78 117.03 0.54 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG22 HD23 ' A' ' 49' ' ' LEU . 62.4 t -107.56 118.39 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -113.6 148.35 16.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.487 HD23 ' HB3' ' A' ' 10' ' ' ALA . 61.0 tp -116.73 110.43 18.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 59.1 mtt180 -122.29 105.34 10.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.28 -106.92 2.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.37 12.66 8.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.343 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.2 m -124.88 138.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.616 HD12 HG11 ' A' ' 68' ' ' VAL . 10.9 mt -100.86 115.16 29.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -102.57 116.17 32.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.648 HD23 HG22 ' A' ' 40' ' ' VAL . 4.2 mp -98.9 159.14 15.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 40.3 m-85 -152.99 142.97 22.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 60.0 mttm -71.58 -38.92 70.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -117.35 162.53 17.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -109.95 34.19 4.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -108.23 -59.98 1.78 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -49.19 -66.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 45.46 40.69 5.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 16.1 m -118.54 -61.34 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.468 ' O ' ' CE1' ' A' ' 50' ' ' TYR . 3.3 p -76.74 156.86 82.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.629 0.728 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -29.56 23.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.738 2.292 . . . . 0.0 112.365 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 p -175.14 125.03 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.55 -70.83 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.5 mp0 -103.97 -56.82 2.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -56.57 176.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -124.57 153.3 69.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.592 0.71 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 142.72 48.95 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.536 ' CG2' HG21 ' A' ' 90' ' ' THR . 11.8 mt -109.92 115.74 50.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.4 p -63.53 103.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.616 HG11 HD12 ' A' ' 47' ' ' LEU . 5.2 m -92.89 23.88 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -52.28 -49.23 64.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -132.45 65.83 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.111 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.9 p -96.55 150.6 20.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.8 tp -108.49 105.66 15.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.497 HG21 HG23 ' A' ' 109' ' ' ILE . 37.4 mt -89.41 143.04 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -161.57 117.82 2.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 59.8 mt -38.25 101.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.111 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 75' ' ' ILE . 53.6 p -36.29 154.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.46 163.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.7 t -105.73 48.73 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -113.7 -57.63 2.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -44.84 141.72 2.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' HE2' ' C ' ' A' ' 81' ' ' LYS . 0.1 OUTLIER -78.06 50.27 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.409 ' NH2' ' OE1' ' A' ' 98' ' ' GLN . 19.7 mtp85 -138.89 138.48 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -109.54 153.6 23.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 71.61 41.48 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.507 HG22 ' HG3' ' A' ' 98' ' ' GLN . 60.4 t -120.96 131.03 74.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.466 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 1.5 p90 -124.34 140.81 52.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.66 ' HA ' HD23 ' A' ' 96' ' ' LEU . 41.4 ttp180 -92.77 133.51 35.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.653 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.0 tt -126.22 137.09 53.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.2 m -125.23 122.98 38.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.653 ' CG2' HD21 ' A' ' 88' ' ' LEU . 19.1 p -112.49 144.58 41.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 47.7 t -37.7 -35.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -71.36 -69.18 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 27.7 m -147.26 177.06 9.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.489 ' CG ' HD12 ' A' ' 20' ' ' LEU . 17.2 tt0 -106.87 153.86 21.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.481 ' SG ' ' CD1' ' A' ' 17' ' ' PHE . 45.3 t -163.96 162.3 23.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.66 HD23 ' HA ' ' A' ' 87' ' ' ARG . 38.7 mt -111.97 169.81 8.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -151.26 136.04 17.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.507 ' HG3' HG22 ' A' ' 85' ' ' VAL . 60.8 tt0 -117.1 155.99 28.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.8 -178.31 4.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.06 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -92.42 -43.5 9.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -136.72 151.32 49.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.454 ' O ' HD23 ' A' ' 106' ' ' LEU . 26.0 ttt85 -41.75 -58.41 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -44.81 -52.34 8.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -57.19 -42.8 81.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -61.47 -50.65 71.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.454 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.1 mm? -56.44 -43.32 79.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.25 -69.87 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.88 ' CE2' HD11 ' A' ' 15' ' ' LEU . 26.3 m95 -38.3 -56.93 1.17 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.497 HG23 HG21 ' A' ' 73' ' ' ILE . 73.0 mt -42.55 -56.62 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.111 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -56.68 -59.93 4.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.672 HG21 ' HB2' ' A' ' 11' ' ' LYS . 94.9 m -43.15 -59.23 2.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.425 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.9 mt -57.68 -55.04 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.438 HE21 ' CG2' ' A' ' 109' ' ' ILE . 15.8 mt-30 -50.12 -34.42 22.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -72.9 -49.34 30.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.0 m -58.39 -37.69 75.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.8 p -73.94 -49.63 23.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.9 t30 -49.08 173.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.8 mt -86.75 163.61 17.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -104.39 88.77 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.6 t -172.63 128.79 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -58.24 -89.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 149.47 67.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 40.1 p -76.59 120.09 21.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.889 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.0 m -108.4 157.28 18.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.45 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 p -119.91 -52.24 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.4 p -91.83 -53.0 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.81 -115.42 3.59 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -121.99 168.66 11.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -97.64 42.05 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.39 -166.18 13.59 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -97.06 22.48 8.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.824 0.345 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -138.5 114.34 9.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.4 -45.63 0.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 30.5 tttp -160.0 152.5 21.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -150.76 150.82 31.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.07 157.02 8.51 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.531 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.777 ' O ' HD23 ' A' ' 15' ' ' LEU . 91.0 m95 -67.65 132.45 47.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.813 0.34 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.932 HD11 ' CE2' ' A' ' 108' ' ' TRP . 30.8 mt -151.67 144.23 24.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -79.12 105.04 10.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 20.4 t80 -94.22 111.69 23.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 18.2 ttp180 -126.42 96.3 36.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.579 0.704 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.5 Cg_endo -69.79 142.7 48.52 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.552 HD13 ' CD ' ' A' ' 94' ' ' GLU . 8.1 mp -82.67 -71.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.952 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 p -133.82 141.06 45.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.131 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.0 p -127.37 -42.08 1.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -55.43 105.11 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -88.21 137.5 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.3 44.88 63.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -153.81 119.9 5.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -105.16 50.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.9 m -108.29 -12.66 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.96 -90.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.536 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.48 -167.55 31.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.6 m -84.2 158.61 21.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.885 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' N ' HD12 ' A' ' 32' ' ' ILE . 4.8 mp -108.98 149.72 12.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -100.22 144.59 28.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 160.62 49.04 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.501 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 93.3 m95 -40.8 133.32 2.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -106.83 94.48 5.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -73.37 107.24 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.512 ' HG3' HD23 ' A' ' 49' ' ' LEU . 13.3 ptm -147.74 137.65 22.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 50' ' ' TYR . 10.8 t80 -48.68 112.59 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.537 HG22 ' HG ' ' A' ' 49' ' ' LEU . 75.4 t -100.79 123.97 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.09 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.4 t -116.34 135.75 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 tp -106.39 114.15 28.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -125.98 101.55 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.58 -103.49 1.64 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -125.02 9.31 8.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 m -119.44 145.11 46.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.6 mt -108.13 107.55 18.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -99.07 112.09 24.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.537 ' HG ' HG22 ' A' ' 40' ' ' VAL . 5.0 mp -93.0 166.68 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 49' ' ' LEU . 50.1 m-85 -151.33 139.26 19.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -65.07 -40.14 94.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.07 176.16 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.8 tttm -93.37 17.29 11.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.1 ttt85 -58.36 163.52 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 54' ' ' ARG . 8.6 mm-40 -31.67 124.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -83.72 24.66 0.85 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.9 p -74.17 -39.48 63.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 46.4 p -81.91 153.61 69.92 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.562 0.696 . . . . 0.0 111.17 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' SER . 53.8 Cg_endo -69.74 177.6 5.41 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.745 2.297 . . . . 0.0 112.352 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 59' ' ' PRO . 2.7 p -39.52 160.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -106.38 96.98 6.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 49.26 25.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -132.0 117.79 18.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -64.82 148.74 97.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 158.5 56.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.882 HG22 HG21 ' A' ' 90' ' ' THR . 57.4 mt -117.6 98.19 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.0 t -63.48 108.55 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.818 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' ASN . 22.2 m -81.12 -22.71 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.123 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 0.7 OUTLIER -36.85 109.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 72.16 48.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.441 ' C ' HD12 ' A' ' 72' ' ' LEU . 29.7 p -98.81 174.19 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.441 HD12 ' C ' ' A' ' 71' ' ' CYS . 7.5 mp -126.42 102.06 6.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.6 mt -93.08 139.75 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' SER . 9.6 m-20 -158.81 117.64 3.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' SER . 83.4 mt -39.32 96.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' ASP . 8.4 t -36.57 154.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.437 ' O ' HG22 ' A' ' 80' ' ' THR . 14.3 p90 -48.7 146.39 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 79' ' ' GLU . 80.8 p -80.2 -29.4 38.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 78' ' ' SER . 4.7 mm-40 -34.61 -42.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 77' ' ' TYR . 10.0 t -61.65 138.54 58.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -56.21 -43.04 78.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 50.2 mtt-85 -55.03 144.23 24.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.69 ' O ' HG23 ' A' ' 85' ' ' VAL . 2.7 ptpt -110.42 -179.89 3.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 83' ' ' LYS . 0.5 OUTLIER 36.9 50.14 0.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.69 HG23 ' O ' ' A' ' 83' ' ' LYS . 54.6 t -113.85 118.87 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 97' ' ' PHE . 2.1 p90 -107.45 134.19 50.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.645 ' HA ' HD23 ' A' ' 96' ' ' LEU . 40.9 ttp180 -91.95 119.41 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.487 HD21 HG23 ' A' ' 90' ' ' THR . 2.1 tt -114.76 132.25 56.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 30.1 m -119.87 125.73 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.882 HG21 HG22 ' A' ' 66' ' ' ILE . 41.5 p -109.98 145.51 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.7 p -45.96 -22.38 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.18 -63.78 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 59.1 m -146.16 174.98 10.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.552 ' CD ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -111.44 151.65 28.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.501 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 8.5 p -163.68 170.58 16.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.645 HD23 ' HA ' ' A' ' 87' ' ' ARG . 26.9 mt -119.45 169.47 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 55.3 m-85 -150.74 141.31 22.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.654 ' HB2' HG22 ' A' ' 85' ' ' VAL . 60.2 tt0 -129.43 138.83 51.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -106.61 172.95 6.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 100' ' ' GLU . 1.1 mp0 -77.63 -49.18 15.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' ARG . 6.0 m-20 -134.91 147.6 49.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 101' ' ' ASP . 34.9 ttt180 -35.12 -61.62 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -40.08 -50.54 2.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.35 -44.99 95.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.47 ' SD ' HD12 ' A' ' 109' ' ' ILE . 16.4 tmm? -50.48 -56.85 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.416 HD12 ' SD ' ' A' ' 105' ' ' MET . 4.8 mp -55.56 -44.53 76.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.37 -44.3 23.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.932 ' CE2' HD11 ' A' ' 15' ' ' LEU . 34.8 m95 -67.78 -57.73 5.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.47 HD12 ' SD ' ' A' ' 105' ' ' MET . 78.4 mt -45.3 -48.31 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -62.74 -67.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 11' ' ' LYS . 99.7 m -42.56 -55.74 3.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.7 mt -57.31 -53.59 41.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -52.09 -36.62 51.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.17 -49.28 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.5 m -58.3 -53.89 53.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 83.7 p -57.53 -46.93 83.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -40.56 133.87 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.26 48.37 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -129.01 104.95 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 88.0 p -133.82 177.29 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -119.69 -106.7 2.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 122.7 9.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.688 2.259 . . . . 0.0 112.351 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 23.3 m -92.02 -54.0 4.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 m -116.54 109.15 16.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.435 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 m -127.39 -58.15 1.27 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.822 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.8 t -132.84 157.99 43.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.43 117.94 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 t -175.0 156.47 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 t -87.25 -46.69 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.38 -168.41 23.8 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.426 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.44 1.12 50.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -162.13 112.08 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.42 -54.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.476 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.9 tttp -142.89 163.29 33.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -164.73 159.46 18.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.07 164.44 12.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.52 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 80.0 m95 -74.7 123.88 25.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 110.95 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.745 HD11 ' CE2' ' A' ' 108' ' ' TRP . 73.5 mt -145.63 146.38 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -80.01 109.34 14.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CD1' ' SG ' ' A' ' 95' ' ' CYS . 15.2 t80 -94.17 110.9 22.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 23.5 ttt180 -125.15 99.45 34.22 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.913 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.74 142.75 48.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.665 2.244 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 94' ' ' GLU . 72.2 mt -88.94 -51.72 5.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.14 83.99 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -118.64 -36.5 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.183 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' OD2' HG21 ' A' ' 28' ' ' VAL . 84.1 m-20 -121.72 45.44 2.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -36.68 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.88 79.95 0.3 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 mmtp -143.64 166.71 24.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.749 0.309 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 mmm-85 -115.94 43.15 2.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.427 HG21 ' OD2' ' A' ' 23' ' ' ASP . 34.5 m -91.36 134.14 30.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 30' ' ' GLY . . . 41.02 50.24 4.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' GLY . . . 38.39 -140.6 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.468 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 74.1 m -46.55 171.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.849 0.357 . . . . 0.0 110.809 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.5 mt -87.76 132.43 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.2 mmt-85 -89.99 153.75 47.21 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.6 Cg_endo -69.8 -171.05 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.299 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.585 ' HH2' HG21 ' A' ' 85' ' ' VAL . 56.0 m95 -37.67 143.9 0.1 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -121.69 106.92 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -73.1 113.92 10.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.441 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.0 ptm -154.0 126.83 8.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 53' ' ' LYS . 13.3 t80 -41.83 115.47 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 38' ' ' MET . 81.0 t -104.45 123.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.6 t -118.76 141.2 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.0 tp -108.05 108.34 19.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 13.3 mtp-105 -122.52 105.33 10.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.62 -110.43 3.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.518 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -122.26 11.78 10.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.76 145.19 50.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -102.92 107.36 18.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -92.41 115.07 27.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 38' ' ' MET . 5.2 mp -97.18 163.74 12.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -154.29 139.44 17.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.84 -22.31 53.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -129.94 134.44 47.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.578 ' HG3' ' CE1' ' A' ' 39' ' ' TYR . 8.0 tmtt? -94.97 -14.68 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 ttt180 -44.68 -51.4 9.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -150.1 131.09 14.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -113.82 28.0 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 t -50.85 -29.95 13.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 4.3 p -113.32 155.86 43.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.557 0.694 . . . . 0.0 111.163 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' SER . 53.7 Cg_endo -69.78 -172.67 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.719 2.279 . . . . 0.0 112.304 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' PRO . 27.6 p -35.51 139.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -90.5 -56.92 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -121.11 -36.83 3.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -74.23 173.16 10.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -121.47 150.8 55.44 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.642 0.734 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 144.45 54.28 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.3 mt -119.85 123.98 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.7 m -77.43 104.73 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.8 m -71.26 -19.97 21.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.3 t-20 -39.06 112.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.502 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 71.92 47.41 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.559 ' C ' HD12 ' A' ' 72' ' ' LEU . 7.6 p -98.23 170.3 8.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.559 HD12 ' C ' ' A' ' 71' ' ' CYS . 7.6 mp -130.72 102.49 6.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.534 HG21 HG23 ' A' ' 109' ' ' ILE . 38.6 mt -92.59 147.66 5.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -162.74 126.31 2.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 76' ' ' SER . 58.9 mt -45.8 103.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.71 ' OG ' HD22 ' A' ' 96' ' ' LEU . 24.1 m -35.24 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 8.4 p90 -45.9 163.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m -101.64 55.42 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.826 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -134.25 -33.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 82' ' ' ARG . 14.1 t -56.17 157.96 4.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.56 25.04 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.596 ' H ' HG23 ' A' ' 80' ' ' THR . 26.8 mtp85 -129.71 127.04 39.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.838 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -98.23 155.53 17.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 67.2 27.08 8.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 76' ' ' SER . 9.1 p -101.68 127.26 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -111.68 138.68 47.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.686 ' HA ' HD23 ' A' ' 96' ' ' LEU . 33.6 ttp180 -93.56 121.93 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.659 HD21 ' CG2' ' A' ' 90' ' ' THR . 1.0 OUTLIER -115.1 136.48 53.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.788 HG23 ' HG3' ' A' ' 94' ' ' GLU . 8.1 m -120.65 128.37 52.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.659 ' CG2' HD21 ' A' ' 88' ' ' LEU . 16.9 p -119.89 155.8 31.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.2 t -55.57 -18.58 7.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -85.69 -67.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 72.4 m -152.86 169.37 22.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.788 ' HG3' HG23 ' A' ' 89' ' ' THR . 12.1 mt-10 -95.45 155.27 16.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.588 ' SG ' ' CD1' ' A' ' 17' ' ' PHE . 48.1 t -167.65 162.27 13.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.71 HD22 ' OG ' ' A' ' 76' ' ' SER . 43.7 mt -117.34 168.61 10.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -151.51 122.48 7.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -95.93 141.95 28.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.511 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -116.02 150.59 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -60.59 -65.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -121.94 155.45 35.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 106' ' ' LEU . 36.8 ttt85 -42.64 -64.85 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 102' ' ' ARG . 2.3 m-20 -34.22 -61.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.34 -45.94 72.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.511 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 14.0 tmm? -52.86 -59.86 3.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.478 ' CD2' ' HG2' ' A' ' 102' ' ' ARG . 3.8 mm? -51.94 -51.18 58.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -42.66 -60.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.745 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.8 m95 -46.89 -62.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.534 HG23 HG21 ' A' ' 73' ' ' ILE . 61.1 mt -42.6 -51.24 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.138 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -56.13 -64.39 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 11' ' ' LYS . 59.1 m -43.6 -61.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.6 mt -54.75 -63.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -40.47 -42.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -65.45 -48.58 72.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 23.7 m -58.76 -37.52 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 88.9 p -77.77 -12.69 60.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -94.26 119.78 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.2 mt -67.21 92.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -126.93 161.5 28.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.3 m -99.47 139.76 34.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.819 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 45.9 81.12 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -15.97 37.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.72 2.28 . . . . 0.0 112.357 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 90.9 p -87.35 -47.65 8.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 33.0 t -64.85 -62.72 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.415 -0.274 . . . . 0.0 112.415 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 p -75.58 115.99 15.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -84.9 128.6 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.75 -146.52 4.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 m 61.39 43.67 10.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.897 0.379 . . . . 0.0 110.887 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -97.18 113.82 25.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.8 164.48 12.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -68.55 172.63 5.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.802 0.334 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 10' ' ' ALA . . . -55.44 113.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.577 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -35.87 -46.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.084 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.67 ' HB2' HG21 ' A' ' 111' ' ' THR . 32.3 tttp -157.64 165.12 36.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -162.22 148.04 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 162.44 157.66 9.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 53' ' ' LYS . 84.1 m95 -67.71 120.71 14.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.341 . . . . 0.0 110.857 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.718 HD11 ' CE2' ' A' ' 108' ' ' TRP . 13.9 mt -141.86 150.37 41.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -86.52 104.46 16.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 8.9 t80 -94.21 111.48 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.5 ttt180 -122.18 97.25 45.67 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.592 0.71 . . . . 0.0 110.88 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 136.56 33.26 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.674 2.249 . . . . 0.0 112.353 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.718 HD12 ' CD ' ' A' ' 94' ' ' GLU . 88.2 mt -84.02 -50.15 8.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.89 136.39 4.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 44.4 p -112.49 -40.26 4.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.174 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -127.64 167.05 16.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -75.44 -67.0 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.16 66.68 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.452 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -100.4 -73.67 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.808 0.337 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -126.81 56.65 1.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 m -118.96 149.95 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.87 -106.0 1.85 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.93 -66.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 32' ' ' ILE . 10.3 m -67.78 -174.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 0.0 110.841 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.595 HG23 ' O ' ' A' ' 31' ' ' SER . 0.9 OUTLIER -167.21 143.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -68.37 152.85 96.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.2 Cg_endo -69.82 -179.36 2.89 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.734 ' CH2' HD13 ' A' ' 96' ' ' LEU . 59.0 m95 -35.01 143.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -112.96 114.99 27.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -81.89 108.28 15.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 16.2 ptm -150.02 138.39 20.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' TYR . 31.8 t80 -54.73 112.11 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.566 ' HB ' HD12 ' A' ' 15' ' ' LEU . 71.0 t -97.2 122.39 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.116 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG22 ' CE2' ' A' ' 39' ' ' TYR . 48.9 t -119.54 128.96 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.577 HD23 ' HB3' ' A' ' 10' ' ' ALA . 20.9 tp -98.86 109.98 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -119.64 117.75 29.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.53 -106.38 1.14 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -123.97 14.0 9.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.807 0.337 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 m -126.39 146.14 50.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.79 114.91 29.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -105.57 104.83 14.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.58 ' N ' HD12 ' A' ' 49' ' ' LEU . 2.4 mp -90.84 168.02 12.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.54 ' CE1' ' HA ' ' A' ' 60' ' ' SER . 93.8 m-85 -157.61 133.78 9.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.5 mmtm -51.45 -45.97 62.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -134.88 154.98 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.532 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 12.3 tttm -85.52 30.68 0.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.8 tpp180 -66.6 -44.57 81.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -150.29 147.26 27.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' THR . 9.7 mt-30 -108.79 -51.46 2.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' GLN . 38.9 m -35.09 -56.48 0.59 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.8 p -52.56 153.73 5.22 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.57 0.7 . . . . 0.0 111.191 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 156.4 63.37 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.54 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 1.4 m -49.39 179.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 63' ' ' GLU . 24.3 mt-10 -103.69 96.06 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 41.18 25.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 61' ' ' GLU . 9.5 mm-40 -122.99 107.14 11.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.61 152.77 85.22 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.615 0.721 . . . . 0.0 110.897 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 158.29 57.4 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.67 2.246 . . . . 0.0 112.328 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.795 HG22 HG21 ' A' ' 90' ' ' THR . 50.8 mt -117.05 98.42 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m -53.26 120.21 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 69' ' ' ASN . 15.3 m -104.03 -10.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.7 OUTLIER -34.59 -40.29 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -129.71 62.54 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.507 ' HB3' HG22 ' A' ' 90' ' ' THR . 20.5 p -111.86 175.5 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -140.09 110.93 6.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.504 HD11 ' HB ' ' A' ' 112' ' ' ILE . 42.4 mt -87.52 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -163.23 122.38 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.483 ' O ' ' C ' ' A' ' 76' ' ' SER . 63.2 mt -41.11 102.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.6 ' OG ' HG13 ' A' ' 85' ' ' VAL . 1.5 p -31.4 144.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -48.82 126.15 11.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.966 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -45.7 -24.98 0.42 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -39.96 -53.86 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.2 t -57.93 151.91 17.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 41.8 pttt -84.62 -36.84 21.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.43 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 59.2 mtt-85 -44.57 126.69 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -92.89 150.31 20.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 62.45 45.2 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.6 HG13 ' OG ' ' A' ' 76' ' ' SER . 7.4 p -113.8 136.79 49.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.481 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 1.3 p90 -123.78 132.92 53.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.632 ' HA ' HD23 ' A' ' 96' ' ' LEU . 61.0 ttp85 -90.61 120.95 32.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.655 HD21 HG23 ' A' ' 90' ' ' THR . 1.5 tt -111.89 134.82 53.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 60.4 m -125.86 120.58 30.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.795 HG21 HG22 ' A' ' 66' ' ' ILE . 34.9 p -107.75 140.91 40.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.9 t -43.08 -30.77 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -55.77 5.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.85 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -154.09 176.8 11.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.718 ' CD ' HD12 ' A' ' 20' ' ' LEU . 1.1 tm-20 -113.71 151.57 31.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.498 ' N ' ' OE1' ' A' ' 94' ' ' GLU . 29.8 p -167.7 155.65 8.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.734 HD13 ' CH2' ' A' ' 35' ' ' TRP . 21.0 mt -102.0 170.21 8.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.558 ' HE2' HD22 ' A' ' 88' ' ' LEU . 58.4 m-85 -154.08 125.38 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.43 ' NE2' ' HB3' ' A' ' 82' ' ' ARG . 41.4 tt0 -114.05 140.7 48.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -108.31 -177.79 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -98.24 -62.28 1.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -103.0 139.32 38.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.8 ttp180 -42.78 -57.25 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.28 -46.5 35.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -58.78 -44.7 90.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.403 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 13.5 tmm? -56.79 -55.03 39.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 106' ' ' LEU . 3.5 mm? -52.62 -39.9 62.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.61 -55.74 31.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.718 ' CE2' HD11 ' A' ' 15' ' ' LEU . 38.8 m95 -49.2 -51.11 34.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.451 ' HA ' HD13 ' A' ' 73' ' ' ILE . 96.6 mt -48.4 -54.27 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -60.16 -61.53 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.67 HG21 ' HB2' ' A' ' 11' ' ' LYS . 85.2 m -40.35 -63.13 0.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.504 ' HB ' HD11 ' A' ' 73' ' ' ILE . 15.7 mt -56.76 -59.89 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -42.49 -37.39 1.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -69.66 -50.28 45.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 35.7 p -54.56 -36.31 64.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 85.5 p -79.29 -30.7 43.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -65.88 154.22 39.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.611 HD23 ' H ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -92.66 40.81 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.56 100.66 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.6 t -136.11 135.9 39.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -88.09 -95.36 0.98 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 113.24 3.32 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 65.0 m -90.31 -61.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.9 t -95.55 131.89 41.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -137.43 125.72 23.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.937 0.399 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 m -133.62 106.11 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.79 98.31 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.5 p -61.17 144.48 53.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.863 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.1 p -66.1 172.35 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.32 -153.28 24.87 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.37 161.19 15.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.31 128.33 35.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.086 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.2 -47.18 81.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.546 ' HB2' HG21 ' A' ' 111' ' ' THR . 35.2 tttp -150.68 165.23 34.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -160.53 144.79 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 169.72 157.91 12.81 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.509 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 72.9 m95 -75.57 122.93 24.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.839 HD11 ' CE2' ' A' ' 108' ' ' TRP . 22.1 mt -143.54 149.33 37.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -78.69 110.87 14.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -94.19 116.24 28.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 35' ' ' TRP . 36.8 ttp85 -134.32 96.15 15.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.737 . . . . 0.0 110.869 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.0 Cg_endo -69.75 141.63 45.8 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.648 2.232 . . . . 0.0 112.346 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.63 -50.91 18.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 p -169.02 138.72 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.5 p -107.25 -41.05 5.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -118.86 90.5 3.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -72.07 -54.62 9.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.4 -45.57 52.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -78.56 155.07 29.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.746 0.307 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -78.98 124.28 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 73.1 t -141.29 118.43 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.13 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.14 -172.41 1.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.449 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' SER . . . -64.29 141.58 44.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -38.0 111.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 32' ' ' ILE . 5.4 mp -35.3 -51.67 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -127.02 156.32 74.47 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.6 Cg_endo -69.77 -164.94 0.14 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.517 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 82.9 m95 -34.15 133.5 0.22 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -107.29 102.52 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -75.94 108.56 8.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.436 ' O ' HG23 ' A' ' 40' ' ' VAL . 8.2 ptm -147.1 136.74 22.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.464 ' N ' ' O ' ' A' ' 50' ' ' TYR . 19.5 t80 -48.36 111.89 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.948 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 47' ' ' LEU . 81.4 t -100.27 122.5 52.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.2 t -112.54 137.81 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.5 tp -110.8 112.33 24.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' HD3' ' CD2' ' A' ' 48' ' ' TYR . 65.6 mtp180 -121.15 99.72 6.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.09 -97.18 0.5 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.447 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -124.83 11.71 8.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.8 m -121.56 144.58 48.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.452 HD22 ' CG1' ' A' ' 40' ' ' VAL . 9.6 mt -115.28 108.12 16.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.421 ' CD2' ' HD3' ' A' ' 43' ' ' ARG . 83.3 m-85 -95.51 114.72 26.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' N ' HD12 ' A' ' 49' ' ' LEU . 3.7 mp -95.55 157.99 15.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.916 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 39' ' ' TYR . 81.5 m-85 -154.35 134.55 13.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -60.66 -41.83 95.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -133.58 129.3 36.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.458 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 64.6 tttt -74.94 -44.1 50.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 53' ' ' LYS . 38.5 mtm180 -35.72 -38.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -155.23 129.81 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -84.12 36.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 58' ' ' THR . 9.9 t -94.67 -22.68 17.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 57' ' ' THR . 51.2 p -33.99 150.95 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.573 0.702 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -29.02 24.67 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 t -79.68 -10.64 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -50.71 -24.92 3.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.4 mm-40 -59.32 -31.64 69.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.7 OUTLIER -32.53 110.09 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -61.57 150.77 80.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 164.8 33.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.618 2.212 . . . . 0.0 112.359 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.79 HG22 HG21 ' A' ' 90' ' ' THR . 45.1 mt -115.09 102.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.9 p -54.71 107.22 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' ASN . 23.2 m -78.93 -21.56 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 6.3 t30 -37.66 115.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 70.92 44.3 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 9.3 p -95.81 -178.77 4.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.7 mt -142.85 110.52 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.479 HG21 HG23 ' A' ' 109' ' ' ILE . 33.6 mt -97.6 144.4 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 17.5 m-20 -163.12 118.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.9 mt -42.24 99.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 75' ' ' ILE . 27.0 t -35.69 149.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 76' ' ' SER . 27.7 p90 -36.48 142.27 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.7 m -87.89 51.56 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -45.09 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.409 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 5.2 t -52.93 121.19 6.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -38.46 -38.93 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.36 133.63 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 84' ' ' ASN . 2.8 mppt? -100.24 171.95 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.417 ' CG ' ' C ' ' A' ' 83' ' ' LYS . 0.2 OUTLIER 46.03 50.25 11.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.38 121.83 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.5 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -115.93 130.55 56.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.8 ttp180 -90.76 124.78 35.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.676 HD21 HG23 ' A' ' 90' ' ' THR . 0.9 OUTLIER -118.69 133.44 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.0 m -118.62 123.84 45.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.79 HG21 HG22 ' A' ' 66' ' ' ILE . 57.5 p -107.93 140.49 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.6 t -40.28 -25.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 90' ' ' THR . 34.1 t0 -82.51 -61.67 1.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.3 m -149.93 176.62 10.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -112.55 144.69 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.445 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 27.1 m -151.59 178.94 8.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.403 ' CD1' HH21 ' A' ' 18' ' ' ARG . 6.1 mt -124.9 165.81 17.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 65.8 m-85 -151.14 147.87 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -134.33 146.11 49.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -113.74 172.68 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.25 -42.92 35.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -142.37 152.56 42.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 48.1 ttt180 -39.23 -62.38 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -40.55 -54.2 2.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -59.22 -42.5 91.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.438 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 16.2 tmm? -54.81 -55.38 30.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.42 ' CD1' ' CE ' ' A' ' 105' ' ' MET . 3.3 mp -57.43 -49.47 76.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -44.26 -42.09 6.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.839 ' CE2' HD11 ' A' ' 15' ' ' LEU . 41.7 m95 -68.05 -58.26 4.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.479 HG23 HG21 ' A' ' 73' ' ' ILE . 95.3 mt -45.1 -48.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -59.52 -67.69 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.546 HG21 ' HB2' ' A' ' 11' ' ' LYS . 89.6 m -41.42 -61.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.179 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.527 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.2 mt -52.99 -64.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -41.13 -41.0 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -70.88 -46.96 61.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.1 m -57.93 -42.89 85.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -90.39 43.86 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -133.16 115.86 15.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 29.9 mt -47.02 124.43 6.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 120' ' ' SER . 43.2 t-20 -104.02 84.51 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 119' ' ' ASN . 50.5 p -37.61 -48.57 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.846 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -164.78 145.85 10.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.455 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 100.15 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.1 m -61.55 -50.96 70.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 41.7 p -127.74 131.68 49.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -79.78 -47.13 15.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -98.55 -56.83 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.825 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.44 -146.56 13.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -160.89 173.45 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.379 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.3 m -125.83 136.01 52.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.45 -55.81 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -47.78 107.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.853 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 8' ' ' ASP . . . -34.1 120.17 0.43 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 9' ' ' ALA . . . -34.21 -49.07 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.522 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -158.65 154.5 26.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -148.62 153.57 38.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 161.6 148.49 5.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.479 ' O ' HD23 ' A' ' 15' ' ' LEU . 81.3 m95 -67.62 120.93 14.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 110.967 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.752 HD11 ' CE2' ' A' ' 108' ' ' TRP . 14.5 mt -139.86 148.32 41.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -80.24 109.44 14.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -94.26 107.95 19.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.527 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 55.1 ttt180 -118.67 98.88 51.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 141.59 45.68 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.526 HD12 ' CG ' ' A' ' 94' ' ' GLU . 51.5 mt -84.42 -49.57 8.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -136.75 162.65 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 32.5 p -135.04 -51.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -47.23 156.09 0.27 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.27 -57.63 7.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -159.42 90.0 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -145.04 171.03 15.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.744 0.307 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -125.48 46.99 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.9 m -83.93 144.4 10.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.29 108.72 2.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 115.07 -158.54 14.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.2 m 57.27 47.34 17.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.828 0.347 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -140.21 148.66 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -106.04 152.59 40.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.7 Cg_endo -69.74 -178.35 2.3 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.527 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 69.6 m95 -37.01 150.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -131.63 93.38 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -61.71 111.83 2.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.45 ' CE ' ' HB3' ' A' ' 49' ' ' LEU . 19.4 ptm -153.48 132.25 12.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.5 t80 -46.05 116.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.519 ' CG1' HD22 ' A' ' 47' ' ' LEU . 53.7 t -107.03 121.1 59.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.8 t -117.51 135.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.9 tp -103.72 116.95 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.1 mtm180 -131.54 100.73 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.25 -107.22 2.78 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.577 ' O ' HG22 ' A' ' 68' ' ' VAL . 21.0 m80 -127.0 11.86 7.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -127.67 142.5 51.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD22 ' CG1' ' A' ' 40' ' ' VAL . 12.4 mt -100.73 119.8 39.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -103.18 102.85 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' HB3' ' CE ' ' A' ' 38' ' ' MET . 4.6 mp -85.73 153.85 22.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -144.26 139.01 28.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -72.17 -25.91 61.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -146.42 130.26 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.822 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.561 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 36.4 tttt -84.09 41.6 0.82 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -98.62 -69.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.614 ' O ' HG23 ' A' ' 57' ' ' THR . 22.4 pm0 -67.15 -31.19 71.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.516 ' C ' ' O ' ' A' ' 55' ' ' GLU . 35.6 mt-30 27.96 44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.614 HG23 ' O ' ' A' ' 55' ' ' GLU . 2.4 p -115.23 -74.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.6 p -52.16 153.63 4.72 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.55 0.691 . . . . 0.0 111.132 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -20.84 34.2 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.339 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 p -174.15 143.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -93.86 -46.23 7.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -130.89 -60.78 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -60.53 -176.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -128.07 153.19 78.48 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.6 0.714 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 142.42 48.08 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.73 2.287 . . . . 0.0 112.376 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.683 ' CG2' HG21 ' A' ' 90' ' ' THR . 12.1 mt -112.2 124.87 69.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.155 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.7 p -75.21 99.18 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.577 HG22 ' O ' ' A' ' 45' ' ' HIS . 13.6 m -71.97 -17.89 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.9 t30 -41.23 111.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.09 45.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.077 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 28.2 p -93.27 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.8 mt -129.75 103.13 6.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.787 HG21 HG23 ' A' ' 109' ' ' ILE . 40.8 mt -93.22 143.88 10.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -162.31 123.63 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 76' ' ' SER . 62.6 mt -42.22 102.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.491 ' OG ' HG12 ' A' ' 85' ' ' VAL . 3.4 m -36.84 155.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CD1' ' OG1' ' A' ' 80' ' ' THR . 9.1 p90 -50.06 179.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -91.39 -32.53 15.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -77.64 53.69 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.498 HG22 ' HD2' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -116.9 -4.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.5 tttt 50.17 26.39 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.575 ' HB2' HG21 ' A' ' 85' ' ' VAL . 51.5 mtt85 -138.86 138.04 37.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -98.3 153.09 18.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.45 ' C ' ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER 60.38 38.62 19.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.575 HG21 ' HB2' ' A' ' 82' ' ' ARG . 71.2 t -107.17 137.01 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.5 OUTLIER -129.15 139.52 51.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 ttp180 -91.41 133.56 35.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.5 HD21 HG23 ' A' ' 90' ' ' THR . 2.5 tt -130.82 135.55 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 32.6 m -127.52 120.82 29.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.683 HG21 ' CG2' ' A' ' 66' ' ' ILE . 21.7 p -104.27 163.17 12.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.197 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.6 m -55.79 -33.54 64.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -75.93 -61.4 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.832 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 71.6 m -153.5 176.98 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.526 ' CG ' HD12 ' A' ' 20' ' ' LEU . 60.3 tt0 -111.18 160.39 16.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.7 p -163.24 175.79 10.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 27.5 mt -119.34 164.34 15.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.8 m-85 -150.53 140.79 22.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.85 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.565 ' HB2' HG22 ' A' ' 85' ' ' VAL . 36.8 tt0 -128.76 138.37 52.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -105.44 177.64 4.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -85.05 -36.09 21.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -141.04 153.25 45.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.577 ' O ' HD23 ' A' ' 106' ' ' LEU . 25.6 ttm180 -49.05 -49.26 42.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -54.86 -43.51 73.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.76 -43.72 98.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 84' ' ' ASN . 10.1 ttp -58.62 -51.85 68.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.3 mm? -52.26 -41.58 62.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.65 88.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.137 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.752 ' CE2' HD11 ' A' ' 15' ' ' LEU . 42.1 m95 -65.16 -54.22 32.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.787 HG23 HG21 ' A' ' 73' ' ' ILE . 89.8 mt -48.07 -52.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -64.58 -61.83 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 11' ' ' LYS . 86.4 m -40.59 -57.88 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 14.4 mt -60.27 -55.69 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.12 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.48 HE21 HG22 ' A' ' 109' ' ' ILE . 12.5 mt-30 -49.76 -32.34 13.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -67.91 -49.0 64.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 68.3 m -59.72 -46.53 88.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 75.7 p -64.55 -50.67 66.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -72.13 115.42 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 118' ' ' LEU . 5.5 mp -59.54 -46.44 88.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -62.08 106.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 87.3 p -88.63 42.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 140.59 -171.82 23.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 123' ' ' SER . 53.9 Cg_endo -69.76 2.98 3.04 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.72 2.28 . . . . 0.0 112.373 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 122' ' ' PRO . 71.1 p -34.09 116.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.3 t -66.64 -53.12 37.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -139.61 127.78 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.393 . . . . 0.0 110.851 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -121.26 84.6 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.96 -111.34 2.44 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -87.99 133.18 34.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -61.96 -49.39 76.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.7 57.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -124.1 151.33 44.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -49.92 112.55 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.56 -45.03 13.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.527 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 23.8 tttp -161.9 159.21 26.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.461 ' HB2' HG22 ' A' ' 41' ' ' VAL . 20.8 pt-20 -156.43 156.89 34.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 157.49 165.42 15.17 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -76.49 124.01 26.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.7 HD11 ' CE2' ' A' ' 108' ' ' TRP . 11.8 mt -142.21 153.53 44.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 61.5 m-70 -88.36 108.99 19.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -95.26 115.38 27.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.543 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 26.6 ttt180 -124.43 100.24 35.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.59 0.71 . . . . 0.0 110.808 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 53.5 Cg_endo -69.79 138.37 37.56 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' ' 94' ' ' GLU . 9.1 mp -76.65 -54.7 6.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -136.8 135.52 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.5 p -117.9 -36.78 3.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' OD1' HG22 ' A' ' 28' ' ' VAL . 1.2 p-10 -75.34 176.88 7.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -89.98 -62.28 1.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -144.91 54.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 28' ' ' VAL . 20.2 mmtt -117.44 165.72 13.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.18 103.34 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.46 HG22 ' OD1' ' A' ' 23' ' ' ASP . 95.4 t -100.44 112.35 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.2 116.44 0.73 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.63 -35.19 2.87 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.79 15.14 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.854 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.0 mm -125.7 145.66 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.16 149.66 89.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.7 Cg_endo -69.73 -170.03 0.36 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.342 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.552 ' NE1' ' NH2' ' A' ' 82' ' ' ARG . 49.4 m95 -35.19 152.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -124.45 91.91 3.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.493 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 27.6 tt0 -64.46 111.68 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.503 ' O ' HG23 ' A' ' 40' ' ' VAL . 10.6 ptm -156.79 132.92 9.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.503 ' CZ ' ' HD3' ' A' ' 53' ' ' LYS . 10.7 t80 -46.37 112.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.52 ' HB ' HD12 ' A' ' 15' ' ' LEU . 95.5 t -103.47 127.15 57.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.461 HG22 ' HB2' ' A' ' 12' ' ' GLU . 95.3 t -120.82 136.46 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.0 tp -104.75 108.02 19.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -120.55 104.12 9.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.78 -105.66 1.85 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -125.99 14.08 7.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.9 m -124.03 138.91 54.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.91 106.36 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 65' ' ' PRO . 46.2 m-85 -93.02 113.1 25.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -94.0 151.12 19.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.488 ' O ' ' N ' ' A' ' 39' ' ' TYR . 56.1 m-85 -148.24 138.68 22.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -72.46 -36.12 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.947 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -119.68 154.45 34.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' HD3' ' CZ ' ' A' ' 39' ' ' TYR . 14.0 tptp -82.51 -30.31 29.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -50.6 -177.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ARG . 18.6 mt-10 -33.98 146.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' HG3' ' CE1' ' A' ' 50' ' ' TYR . 8.5 mp0 -75.7 56.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.936 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.3 p -129.11 61.72 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.147 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.67 159.42 33.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.552 0.691 . . . . 0.0 111.17 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -33.67 16.28 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.4 p -70.25 -19.19 63.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -42.97 -34.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -41.95 -39.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -42.85 103.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -52.04 151.18 6.98 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.575 0.702 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.458 ' HB3' ' CE1' ' A' ' 48' ' ' TYR . 53.7 Cg_endo -69.77 155.19 66.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.68 HG22 HG21 ' A' ' 90' ' ' THR . 50.7 mt -110.16 106.37 20.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 m -62.73 110.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' ASN . 30.6 m -81.22 -23.31 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.526 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 12.9 t-20 -37.36 115.2 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 73.04 42.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.5 p -95.58 170.59 9.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 70.2 mt -130.03 106.8 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.467 HD12 ' HG3' ' A' ' 113' ' ' GLN . 41.1 mt -93.3 149.71 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -161.4 130.44 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.0 mt -52.8 102.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.504 ' HB2' HG13 ' A' ' 85' ' ' VAL . 24.4 m -31.91 138.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.826 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -37.13 131.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.943 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.6 t -75.86 46.68 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -119.6 -43.13 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 82' ' ' ARG . 4.9 t -46.52 168.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' N ' ' A' ' 82' ' ' ARG . 11.8 ptmt -78.11 -47.95 17.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.552 ' NH2' ' NE1' ' A' ' 35' ' ' TRP . 0.0 OUTLIER -66.0 148.08 52.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -110.7 -174.56 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.452 ' C ' ' SD ' ' A' ' 105' ' ' MET . 2.9 m-80 44.18 25.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.539 HG21 ' HH2' ' A' ' 35' ' ' TRP . 5.0 p -98.06 124.78 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 1.4 p90 -111.49 155.7 22.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.4 ttp180 -109.38 153.23 24.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.722 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.4 tt -144.11 141.13 29.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.477 HG23 ' HG3' ' A' ' 94' ' ' GLU . 95.3 m -126.49 123.82 38.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.722 ' CG2' HD21 ' A' ' 88' ' ' LEU . 29.0 p -115.38 145.49 42.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.6 m -45.38 -22.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -80.83 -69.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 23.5 m -147.65 175.58 10.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.48 ' HB3' HD13 ' A' ' 20' ' ' LEU . 5.4 mp0 -105.25 155.44 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 19' ' ' PRO . 31.5 p -168.07 176.02 6.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 75.7 mt -123.18 168.49 12.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.441 ' HB2' ' CE2' ' A' ' 86' ' ' PHE . 75.4 m-85 -151.08 127.93 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.493 ' NE2' ' HB2' ' A' ' 82' ' ' ARG . 33.4 tt0 -114.37 143.1 45.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -109.38 169.78 8.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.472 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.8 pt-20 -76.84 -46.61 24.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.472 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 6.1 t0 -131.43 158.99 39.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -49.19 -57.56 6.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -52.47 -48.96 65.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -33.75 62.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.573 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 58.0 ttp -71.88 -54.78 8.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -48.38 -37.6 17.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.65 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.048 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.7 ' CE2' HD11 ' A' ' 15' ' ' LEU . 35.1 m95 -55.77 -54.23 46.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -47.59 -60.52 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -53.82 -62.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 86.7 m -42.69 -62.35 1.02 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.521 HD11 ' HE3' ' A' ' 108' ' ' TRP . 21.6 mt -54.81 -61.61 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.467 ' HG3' HD12 ' A' ' 73' ' ' ILE . 28.2 mt-30 -44.33 -37.97 3.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -68.47 -50.25 53.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.5 m -54.21 -47.2 72.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 99.7 p -62.02 -44.44 96.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -61.63 169.56 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.582 HD23 ' H ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -84.16 161.77 20.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -134.09 112.7 11.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.9 t -156.93 163.31 39.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -159.79 145.98 12.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.538 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 118.6 5.78 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.709 2.273 . . . . 0.0 112.339 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 45.7 t -119.03 128.75 54.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 t -136.77 141.07 42.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.4 m -100.53 144.71 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -80.56 165.74 21.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.85 40.1 2.6 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -125.36 105.13 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.891 0.377 . . . . 0.0 110.837 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -136.4 132.11 35.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.88 -107.53 0.54 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -53.18 135.68 37.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.828 0.347 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.13 109.94 0.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.18 -44.0 4.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB2' HG21 ' A' ' 111' ' ' THR . 18.9 tttp -161.9 163.34 29.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -161.96 156.24 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.53 165.7 16.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.788 ' O ' HD23 ' A' ' 15' ' ' LEU . 97.4 m95 -70.97 132.22 44.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.858 0.361 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.788 HD23 ' O ' ' A' ' 14' ' ' TRP . 26.5 mt -153.33 155.95 37.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -91.33 106.48 18.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -94.18 110.69 22.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 56.8 ttt180 -124.74 95.69 42.07 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.716 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 18' ' ' ARG . 53.8 Cg_endo -69.74 142.47 48.11 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.253 . . . . 0.0 112.346 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 97.0 mt -83.86 -56.66 3.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.07 150.27 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -128.67 -28.04 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -116.36 156.97 25.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 pttm -109.31 97.78 7.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.86 69.61 1.36 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.56 120.91 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.782 0.325 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -86.33 130.39 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.2 m -119.6 -12.63 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -168.66 -143.92 4.01 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.482 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.31 -87.18 1.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.436 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.4 p -89.03 141.3 28.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.8 mt -65.32 148.27 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.155 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -72.83 152.13 91.09 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.582 0.706 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 176.74 6.35 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.67 2.246 . . . . 0.0 112.356 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.483 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 72.9 m95 -49.34 157.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -131.32 95.42 3.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.956 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -70.56 113.02 7.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.489 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.9 ptm -153.8 127.02 8.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.585 ' CD2' ' HB3' ' A' ' 53' ' ' LYS . 6.5 t80 -36.67 115.47 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 38' ' ' MET . 98.1 t -106.7 121.34 59.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.7 t -110.86 141.69 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.115 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.482 HD22 HG12 ' A' ' 112' ' ' ILE . 28.0 tp -116.61 113.03 22.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -123.88 94.89 4.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.45 -99.86 1.37 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.478 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -127.04 14.02 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.8 m -123.22 133.1 54.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' ' 40' ' ' VAL . 12.3 mt -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -108.25 109.32 20.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.409 HD23 ' HG3' ' A' ' 38' ' ' MET . 5.2 mp -92.67 161.6 14.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -150.82 138.94 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 8.2 ptpp? -66.21 -31.83 72.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 22.7 p-10 -145.67 124.7 12.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HB3' ' CD2' ' A' ' 39' ' ' TYR . 29.5 pttt -68.4 -3.43 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -51.23 -41.39 60.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -126.9 90.8 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.842 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -73.37 -39.15 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.4 m -44.99 -63.08 1.0 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.136 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 63.8 p -45.11 151.91 0.63 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.583 0.706 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -176.56 1.51 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.26 . . . . 0.0 112.377 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.0 p -55.3 -179.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.3 mm-40 -120.16 103.66 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 41.1 25.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 61' ' ' GLU . 6.8 mm-40 -131.98 133.11 44.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -83.66 151.57 61.8 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.622 0.725 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 143.83 52.11 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.85 HG22 HG21 ' A' ' 90' ' ' THR . 35.9 mt -103.91 103.5 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 m -63.56 110.84 2.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 17.9 m -83.94 25.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -65.28 115.05 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.15 50.87 11.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 19.5 p -91.45 147.51 22.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 tp -104.78 106.41 16.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.752 HG21 HG23 ' A' ' 109' ' ' ILE . 45.6 mt -94.22 145.7 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 73' ' ' ILE . 8.4 m-20 -163.19 129.21 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' SER . 76.7 mt -48.51 101.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 75' ' ' ILE . 57.3 p -41.21 163.12 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -50.79 178.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 79' ' ' GLU . 51.7 p -105.62 -26.62 11.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 78' ' ' SER . 9.1 mp0 -35.17 -55.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.8 t -59.03 135.05 57.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 81' ' ' LYS . 9.9 mptt -60.3 -53.26 59.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 81' ' ' LYS . 57.4 mtt85 -34.5 121.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -95.23 170.57 9.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.89 39.95 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.765 HG13 ' O ' ' A' ' 97' ' ' PHE . 92.3 t -107.32 138.7 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.12 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.5 OUTLIER -128.24 143.58 51.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.876 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.3 ttp180 -96.9 127.2 42.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 90' ' ' THR . 1.1 tt -123.36 148.41 46.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 42.8 m -134.87 123.18 23.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.85 HG21 HG22 ' A' ' 66' ' ' ILE . 76.6 p -108.66 139.95 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.0 t -40.75 -25.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 90' ' ' THR . 0.8 OUTLIER -82.28 -62.61 1.58 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 33.5 m -148.83 177.66 9.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -118.21 135.66 54.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.466 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 16.0 p -140.33 178.14 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.483 ' HB3' ' CH2' ' A' ' 35' ' ' TRP . 12.1 mt -123.37 154.47 38.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.867 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.765 ' O ' HG13 ' A' ' 85' ' ' VAL . 65.7 m-85 -138.07 152.8 49.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -137.15 138.92 40.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.585 ' HB3' ' HB2' ' A' ' 105' ' ' MET . . . -107.77 170.01 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 2.3 pt-20 -79.99 -45.22 18.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 100' ' ' GLU . 10.4 t0 -128.76 166.26 19.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.552 ' O ' HD23 ' A' ' 106' ' ' LEU . 53.2 ttt85 -57.74 -47.13 83.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.24 -43.48 97.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.57 -42.34 74.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.585 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 45.7 ttp -67.17 -53.68 28.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 102' ' ' ARG . 4.1 mm? -47.97 -45.07 30.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.31 -45.23 76.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.536 ' CE2' HD11 ' A' ' 15' ' ' LEU . 46.2 m95 -62.5 -55.29 28.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.752 HG23 HG21 ' A' ' 73' ' ' ILE . 84.1 mt -47.25 -53.09 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -60.85 -61.47 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.47 HG21 ' HB2' ' A' ' 11' ' ' LYS . 97.1 m -42.58 -61.87 1.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.482 HG12 HD22 ' A' ' 42' ' ' LEU . 20.0 mt -54.89 -56.71 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -47.87 -37.89 14.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -64.86 -44.87 88.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 m -62.96 -48.3 79.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 63.6 p -71.57 -26.43 62.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -69.57 163.05 26.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.598 ' H ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -90.6 38.72 0.95 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.438 ' O ' ' C ' ' A' ' 120' ' ' SER . 3.0 m120 -37.0 104.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' ASN . 3.1 m -35.05 118.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -49.26 -77.19 0.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.481 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 93.38 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.698 2.266 . . . . 0.0 112.288 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.2 t -83.88 -53.75 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.0 t -46.66 113.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.4 p -163.41 162.76 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.911 0.386 . . . . 0.0 110.856 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -72.29 142.54 48.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.69 -40.42 0.92 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.499 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 m -89.39 170.75 10.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -74.47 121.92 22.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.41 123.55 5.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.6 149.29 50.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.804 0.335 . . . . 0.0 110.864 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.5 112.36 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -38.77 -48.07 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HB2' HG21 ' A' ' 111' ' ' THR . 16.0 tttp -157.21 158.11 35.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -158.34 151.2 22.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.39 163.68 17.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.616 ' O ' HD23 ' A' ' 15' ' ' LEU . 87.7 m95 -70.78 118.25 13.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.761 HD11 ' CE2' ' A' ' 108' ' ' TRP . 56.1 mt -137.4 148.64 46.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.403 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 93.5 m-70 -85.65 105.65 16.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 19' ' ' PRO . 15.8 t80 -94.0 114.58 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 66.7 ttt-85 -128.94 99.63 21.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.72 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.545 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.9 Cg_endo -69.73 140.75 43.56 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.9 mt -80.56 -64.13 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.952 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.32 131.9 69.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 35.3 p -129.22 -63.64 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.56 146.06 1.63 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.873 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -107.02 83.29 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.54 53.11 40.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -131.87 130.47 41.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -90.87 42.38 1.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.8 m -94.53 162.2 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.4 -171.41 4.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.484 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -132.54 -99.36 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -84.46 131.44 34.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.9 mt -60.53 131.04 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -55.24 159.39 4.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.624 0.726 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 179.52 3.62 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.482 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 77.9 m95 -46.39 142.93 2.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -114.81 88.79 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.403 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 37.9 tt0 -62.6 117.71 6.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.485 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 ptm -155.81 133.97 11.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.401 ' CE2' ' NE2' ' A' ' 56' ' ' GLN . 9.8 t80 -45.58 115.91 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 38' ' ' MET . 86.5 t -106.1 121.8 58.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.134 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 87.7 t -112.3 139.52 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 47' ' ' LEU . 31.5 tp -111.3 112.94 25.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.93 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -122.32 95.54 4.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.81 -100.39 1.0 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' VAL . 10.4 p-80 -124.74 14.1 8.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.863 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -123.73 134.18 53.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 42' ' ' LEU . 12.8 mt -104.2 113.73 27.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -103.74 116.42 32.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 49' ' ' LEU . 3.2 mp -101.14 158.37 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -147.29 126.75 13.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -42.62 -35.45 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.503 ' OD2' ' CZ ' ' A' ' 54' ' ' ARG . 42.7 p30 -144.93 -179.33 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -95.43 27.04 3.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' CZ ' ' OD2' ' A' ' 52' ' ' ASP . 18.5 ttp-105 -101.64 137.98 39.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 49.07 54.99 9.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.401 ' NE2' ' CE2' ' A' ' 39' ' ' TYR . 8.4 tt0 -81.75 38.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 74.6 p -91.47 -40.11 11.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.9 p -93.71 155.24 40.71 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.621 0.724 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 60' ' ' SER . 54.2 Cg_endo -69.7 177.53 5.45 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 59' ' ' PRO . 86.5 p -31.96 120.83 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -94.62 -59.52 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -76.7 -49.05 17.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -93.15 177.85 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.06 153.21 43.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 141.25 44.66 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.637 ' CG2' HG21 ' A' ' 90' ' ' THR . 30.7 mt -109.6 127.92 66.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 92.0 p -78.15 90.58 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 45' ' ' HIS . 17.7 m -84.14 28.17 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -61.17 -43.05 99.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.12 54.05 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.078 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 32.1 p -90.56 144.06 26.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tp -103.64 105.39 15.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.5 mt -88.54 149.02 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 76' ' ' SER . 18.8 m-20 -160.81 128.97 4.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 76' ' ' SER . 84.5 mt -48.12 92.08 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' ASP . 38.4 t -36.1 150.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -41.63 160.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.923 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 79' ' ' GLU . 78.9 p -93.17 -26.26 17.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 78' ' ' SER . 16.3 mm-40 -34.29 -46.85 0.27 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 80' ' ' THR . 8.9 t -63.44 112.4 2.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -40.25 -46.57 2.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.71 145.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -120.66 153.11 37.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 73.49 37.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.5 t -108.99 146.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.583 ' CD1' ' HG3' ' A' ' 105' ' ' MET . 0.9 OUTLIER -143.58 140.69 30.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.597 ' HG3' HD21 ' A' ' 96' ' ' LEU . 17.2 mtp180 -88.55 161.29 17.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.669 HD21 HG23 ' A' ' 90' ' ' THR . 1.8 tt -155.96 128.33 7.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.485 HG23 ' HG3' ' A' ' 94' ' ' GLU . 89.3 m -115.66 124.26 50.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.669 HG23 HD21 ' A' ' 88' ' ' LEU . 30.1 p -118.88 144.96 46.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.154 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 82.8 p -44.18 -27.63 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.29 -66.92 0.79 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.5 m -152.59 177.57 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.485 ' HG3' HG23 ' A' ' 89' ' ' THR . 6.2 mt-10 -109.7 155.96 20.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.46 ' SG ' ' CE2' ' A' ' 97' ' ' PHE . 21.9 p -167.43 170.95 10.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.597 HD21 ' HG3' ' A' ' 87' ' ' ARG . 4.8 mt -114.36 160.45 19.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.583 ' HE2' HD22 ' A' ' 88' ' ' LEU . 82.5 m-85 -142.51 123.82 14.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.446 ' O ' HD22 ' A' ' 15' ' ' LEU . 33.5 tt0 -100.5 169.42 9.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.27 167.27 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.103 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.72 -67.2 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.4 t70 -122.88 152.85 40.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' ASP . 47.0 ttt180 -36.21 -53.18 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -51.18 -50.1 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -54.44 -43.36 71.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.583 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 59.5 ttp -60.47 -58.41 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.31 -42.95 42.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.59 -49.1 68.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.761 ' CE2' HD11 ' A' ' 15' ' ' LEU . 41.3 m95 -61.49 -57.46 12.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 86.4 mt -43.49 -54.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -58.37 -62.57 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.534 HG21 ' HB2' ' A' ' 11' ' ' LYS . 86.8 m -43.35 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.104 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.525 HD11 ' HE3' ' A' ' 108' ' ' TRP . 15.6 mt -58.78 -64.32 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.146 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -41.11 -39.58 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -64.27 -46.51 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.7 m -64.42 -47.36 79.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 91.3 p -65.78 -34.16 77.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -66.13 121.45 15.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 21.5 mt -53.83 123.84 13.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -113.14 104.77 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 78.9 p -86.88 118.46 26.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 149.04 143.16 3.72 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 1.59 4.35 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.273 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 49.6 p -76.37 58.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.1 t -53.58 130.66 36.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -88.85 -54.34 4.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.833 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.3 p -66.87 148.61 51.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.76 70.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -71.56 -56.92 4.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.876 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -110.16 147.97 32.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.44 79.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.439 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.51 104.68 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.819 0.342 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.04 124.1 51.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.78 -49.15 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.472 ' HB2' HG21 ' A' ' 111' ' ' THR . 31.3 tttp -150.27 162.99 39.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.625 ' CB ' HG22 ' A' ' 41' ' ' VAL . 7.4 pt-20 -164.23 161.65 22.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 152.78 166.64 14.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.531 ' O ' HD23 ' A' ' 15' ' ' LEU . 85.0 m95 -72.62 132.77 44.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.594 HD11 ' CE2' ' A' ' 108' ' ' TRP . 80.1 mt -157.64 141.56 15.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -76.71 107.39 8.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -94.2 110.32 22.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.5 ' HD2' ' CD1' ' A' ' 35' ' ' TRP . 65.7 ttt-85 -128.26 101.88 21.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.841 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 53.7 Cg_endo -69.73 140.61 43.21 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.712 2.275 . . . . 0.0 112.327 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD23 ' CA ' ' A' ' 95' ' ' CYS . 4.1 mm? -69.14 -50.35 48.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.0 p -170.52 151.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t -170.26 154.4 4.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 t70 68.58 41.51 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -45.17 165.91 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.91 43.58 99.0 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -147.51 145.11 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.734 0.302 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -65.69 97.66 0.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.658 ' CG2' HD11 ' A' ' 32' ' ' ILE . 11.5 p -174.29 156.23 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 28' ' ' VAL . . . 131.08 113.08 1.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.65 -40.24 2.68 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -88.63 48.19 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.828 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.658 HD11 ' CG2' ' A' ' 28' ' ' VAL . 57.5 mt -142.12 139.96 29.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -51.57 153.71 3.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.48 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.4 Cg_endo -69.81 -163.42 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.681 2.254 . . . . 0.0 112.307 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 55.7 m95 -32.09 136.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -105.94 114.59 28.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -86.16 112.23 21.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.418 ' O ' HG23 ' A' ' 40' ' ' VAL . 12.4 ptm -151.81 137.68 18.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -49.79 115.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 38' ' ' MET . 99.3 t -103.68 124.53 58.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.625 HG22 ' CB ' ' A' ' 12' ' ' GLU . 46.3 t -120.45 139.54 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.7 tp -104.68 123.44 47.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -134.84 103.2 5.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.54 -109.97 2.93 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.543 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.618 ' O ' HG22 ' A' ' 68' ' ' VAL . 2.0 m80 -119.66 6.32 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.0 m -121.57 144.4 48.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.3 mt -103.06 118.85 37.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -104.82 116.05 31.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -97.01 163.27 13.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.947 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -143.73 125.02 14.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -41.48 -44.14 2.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -145.87 165.99 27.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tttm -84.91 27.67 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -55.73 -62.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -147.46 138.5 23.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 57' ' ' THR . 10.4 mp0 -99.98 -33.6 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 56' ' ' GLN . 1.8 t -33.45 -38.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' GLN . 16.7 p -91.57 155.04 44.21 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.608 0.718 . . . . 0.0 111.141 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -179.96 3.27 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.704 2.27 . . . . 0.0 112.354 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.7 p -50.49 -177.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.813 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 63' ' ' GLU . 17.3 mm-40 -108.56 -170.29 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' C ' ' O ' ' A' ' 61' ' ' GLU . 6.2 mm-40 -32.73 -36.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 61' ' ' GLU . 0.2 OUTLIER -50.98 169.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -114.73 142.25 28.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 157.15 61.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.668 HG22 HG21 ' A' ' 90' ' ' THR . 45.0 mt -119.61 116.14 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -73.46 104.91 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 45' ' ' HIS . 10.3 m -83.47 15.18 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -59.0 115.06 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.46 52.65 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.581 ' C ' HD22 ' A' ' 72' ' ' LEU . 1.9 p -90.64 173.74 7.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.581 HD22 ' C ' ' A' ' 71' ' ' CYS . 3.4 mm? -127.19 104.03 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 37.4 mt -96.07 142.97 12.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-20 -161.9 119.8 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 76' ' ' SER . 75.3 mt -35.5 98.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 75' ' ' ILE . 18.6 t -35.28 152.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -42.27 165.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.961 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 80.7 p -111.7 66.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -134.11 -35.0 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 81' ' ' LYS . 2.9 t -71.31 124.5 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 80' ' ' THR . 30.9 mtmt -34.54 -55.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -41.37 139.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.35 162.47 17.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 62.23 48.8 4.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -114.33 135.4 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.568 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.4 OUTLIER -120.85 132.69 55.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.406 ' HA ' HD23 ' A' ' 96' ' ' LEU . 26.7 ttp180 -88.76 135.11 33.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 90' ' ' THR . 2.3 tt -132.38 137.09 47.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 33.1 m -127.66 123.91 36.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.668 HG21 HG22 ' A' ' 66' ' ' ILE . 19.0 p -107.34 146.76 31.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 17.7 m -41.13 -25.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 90' ' ' THR . 14.2 t70 -82.15 -70.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 39.6 m -143.85 177.62 8.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 95' ' ' CYS . 41.5 tt0 -110.27 153.83 24.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.433 ' CA ' HD23 ' A' ' 20' ' ' LEU . 3.5 m -155.69 -179.12 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 87' ' ' ARG . 23.6 mt -128.86 162.88 26.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 81.5 m-85 -149.09 132.5 16.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.538 ' O ' HD22 ' A' ' 15' ' ' LEU . 36.8 tt0 -110.19 148.38 31.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.7 146.88 47.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -63.04 -61.18 2.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 102' ' ' ARG . 3.0 m-20 -122.86 147.97 45.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 101' ' ' ASP . 26.3 ttm180 -36.51 -61.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' ARG . 24.3 t0 -37.42 -61.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.18 -50.05 6.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 106' ' ' LEU . 41.7 ttp -56.36 -70.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 105' ' ' MET . 4.6 mm? -37.27 -40.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.73 -54.43 45.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.594 ' CE2' HD11 ' A' ' 15' ' ' LEU . 53.5 m95 -55.81 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.5 mt -38.65 -54.55 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.152 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -57.94 -66.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.472 HG21 ' HB2' ' A' ' 11' ' ' LYS . 47.6 m -41.7 -60.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.467 HD11 ' HE3' ' A' ' 108' ' ' TRP . 24.1 mt -53.72 -61.01 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -45.2 -41.05 7.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -60.6 -44.33 96.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.9 m -75.07 -29.68 60.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.7 p -100.16 36.22 1.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.51 162.62 12.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.6 mt -90.06 -46.3 8.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -75.51 85.24 2.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -116.36 135.23 54.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -117.53 -157.92 10.87 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 0.96 4.89 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.306 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.1 m -39.26 -47.48 1.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.4 t -81.76 96.58 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -99.98 139.34 35.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -78.15 156.52 29.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.06 -43.95 1.35 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -43.74 139.63 2.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.368 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -104.89 156.44 18.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.49 -111.36 0.61 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -38.88 152.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.351 . . . . 0.0 110.826 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.84 114.74 1.24 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.48 -44.92 55.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.483 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 17.5 tttp -158.79 163.53 36.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -162.97 136.52 5.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 178.54 159.34 22.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.458 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.548 ' O ' HD23 ' A' ' 15' ' ' LEU . 83.5 m95 -68.32 128.84 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.842 0.353 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 14' ' ' TRP . 22.9 mt -153.33 147.27 25.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -83.97 111.43 19.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -94.28 115.39 27.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.2 ttt-85 -128.85 102.59 19.38 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 95' ' ' CYS . 53.7 Cg_endo -69.77 136.58 33.34 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 95' ' ' CYS . 4.4 mm? -68.74 -59.36 3.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -143.78 154.11 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 71.4 p -125.53 -29.49 3.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -79.5 -48.55 13.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? 48.65 40.12 14.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.08 -67.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.43 176.66 8.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.811 0.338 . . . . 0.0 110.875 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -92.49 92.26 7.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.8 m -70.51 -21.39 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.85 78.95 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.416 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.96 -173.88 25.99 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.7 p -89.91 178.94 6.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.847 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.0 mt -111.86 -58.46 3.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -137.05 152.85 74.63 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.56 0.695 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 178.37 4.6 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -39.6 160.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -131.01 95.18 3.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.27 111.14 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.2 ptm -156.62 128.0 7.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.524 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 21.0 t80 -44.91 114.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.9 t -100.25 118.82 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 64.1 t -109.07 132.46 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.9 tp -108.13 113.29 26.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -124.44 96.3 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.51 -102.15 1.71 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.488 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.1 p-80 -124.87 13.45 8.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 69.9 m -122.92 136.18 54.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.0 mt -107.46 107.34 18.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -96.01 121.87 38.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mp -102.88 156.91 17.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -148.81 136.28 20.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -43.55 -51.71 6.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.883 ' HB3' HG21 ' A' ' 58' ' ' THR . 11.5 t70 -137.92 167.02 22.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.524 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 25.1 tttp -88.15 45.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 1.029 ' O ' HG22 ' A' ' 57' ' ' THR . 2.4 tpp180 -94.77 84.96 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.0 OUTLIER 42.15 48.49 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 55' ' ' GLU . 15.5 mp0 33.69 34.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 1.029 HG22 ' O ' ' A' ' 54' ' ' ARG . 14.3 t -102.79 -28.62 11.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.883 HG21 ' HB3' ' A' ' 52' ' ' ASP . 16.4 p -41.39 155.39 0.22 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.701 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -168.41 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.0 24.98 1.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.81 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 62' ' ' GLU . 14.9 mt-10 -70.21 -43.99 69.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 61' ' ' GLU . 7.1 pm0 -38.15 -32.12 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 8.1 mp0 -52.76 98.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -58.5 148.07 66.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.546 0.689 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 152.12 69.28 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.377 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.866 HG22 HG21 ' A' ' 90' ' ' THR . 53.3 mt -94.13 97.24 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.8 m -52.22 107.89 0.25 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 66' ' ' ILE . 30.5 m -101.75 26.67 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -64.21 -36.33 83.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.04 45.28 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 14.5 p -91.32 174.96 7.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.4 mt -136.31 113.88 10.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.52 HD11 ' CG2' ' A' ' 112' ' ' ILE . 50.5 mt -97.56 141.63 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.126 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -157.65 124.79 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.8 mt -43.05 98.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' TYR . 38.4 t -43.62 145.27 0.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE2' ' HB ' ' A' ' 80' ' ' THR . 15.4 p90 -32.71 139.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -91.34 57.31 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -133.61 -35.27 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.579 ' HB ' ' CE2' ' A' ' 77' ' ' TYR . 8.2 t -56.69 123.44 14.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 80' ' ' THR . 16.0 mtpp -33.09 -41.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.493 ' HD3' ' NE2' ' A' ' 98' ' ' GLN . 4.5 mmp_? -44.97 170.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -137.07 146.7 45.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 49.28 55.03 9.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 90.8 t -113.81 128.99 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.8 OUTLIER -113.48 137.37 51.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.64 129.87 35.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.582 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -124.26 131.48 53.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.546 HG23 ' HG3' ' A' ' 94' ' ' GLU . 88.4 m -123.11 123.39 40.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.866 HG21 HG22 ' A' ' 66' ' ' ILE . 17.0 p -114.43 139.68 49.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.6 t -39.45 -26.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 90' ' ' THR . 5.2 t0 -76.12 -70.03 0.47 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 83.2 m -147.43 176.48 10.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.546 ' HG3' HG23 ' A' ' 89' ' ' THR . 3.3 mt-10 -105.53 156.09 18.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.585 ' N ' HD23 ' A' ' 20' ' ' LEU . 25.3 p -167.73 172.77 8.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.17 166.16 16.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -150.46 124.8 9.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.493 ' NE2' ' HD3' ' A' ' 82' ' ' ARG . 30.7 tt0 -102.62 153.11 20.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.473 ' N ' ' HG2' ' A' ' 98' ' ' GLN . . . -124.81 -177.68 3.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -105.7 -61.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -105.52 140.84 38.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -45.44 -44.74 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.53 -45.31 92.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.82 -47.84 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.447 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 15.0 tmm? -55.29 -50.31 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.7 mt -59.02 -45.89 89.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -49.31 -56.82 8.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.544 ' CE2' HD11 ' A' ' 15' ' ' LEU . 39.3 m95 -50.39 -53.24 30.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -45.87 -51.9 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 111' ' ' THR . 1.8 ttmp? -58.29 -70.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.894 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 110' ' ' LYS . 29.0 m -37.41 -58.73 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.52 ' CG2' HD11 ' A' ' 73' ' ' ILE . 16.3 mt -57.14 -56.31 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.113 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -47.75 -39.89 19.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.04 -45.94 89.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 11.2 p -69.33 -37.68 77.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 95.2 p -81.73 43.6 0.77 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -150.71 115.88 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.99 -57.38 12.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 46.15 42.67 10.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 20.2 t -112.3 127.16 55.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.452 ' N ' ' HD2' ' A' ' 122' ' ' PRO . . . -176.32 -61.26 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.521 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 121' ' ' GLY . 54.0 Cg_endo -69.74 2.71 3.27 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.338 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -62.8 98.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.9 t -41.94 -60.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.47 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -89.13 -52.52 5.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -89.31 -59.86 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.58 72.23 0.66 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -136.43 132.61 35.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -113.63 41.85 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.34 -74.04 0.46 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.62 155.33 39.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.321 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.66 112.8 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.75 -47.26 20.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.647 ' HB2' HG21 ' A' ' 111' ' ' THR . 26.6 tttp -154.3 169.01 24.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -163.57 152.51 14.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 159.46 157.59 8.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.882 ' O ' HD23 ' A' ' 15' ' ' LEU . 80.6 m95 -68.69 127.87 34.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.325 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.882 HD23 ' O ' ' A' ' 14' ' ' TRP . 22.2 mt -148.91 150.35 32.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.506 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 87.2 m-70 -86.42 109.67 19.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -94.22 109.0 20.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -123.95 97.56 40.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.436 ' HA ' ' CB ' ' A' ' 95' ' ' CYS . 54.2 Cg_endo -69.74 141.26 44.81 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.339 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD23 ' HG2' ' A' ' 94' ' ' GLU . 4.1 mm? -73.58 -46.4 47.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.4 p -168.92 153.21 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.0 p -126.15 176.04 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.46 104.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -97.36 116.34 29.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.97 -31.63 1.45 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' ARG . 37.7 mmtt -83.57 47.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.764 0.316 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 27' ' ' ARG . 19.9 mmm-85 37.77 42.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.702 ' O ' HG13 ' A' ' 28' ' ' VAL . 7.9 p -117.8 45.57 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 46.4 -153.71 0.92 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.19 52.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 95.8 p -84.5 -178.12 6.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.867 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.614 ' O ' HG22 ' A' ' 32' ' ' ILE . 9.5 mt -122.67 42.02 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.102 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.7 mtm-85 -42.15 157.98 0.21 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.625 0.726 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.9 Cg_endo -69.78 165.58 30.52 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.675 ' CH2' HG21 ' A' ' 85' ' ' VAL . 77.9 m95 -37.67 133.69 0.77 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -107.05 112.22 25.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.506 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 52.1 tt0 -86.16 107.39 17.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.442 ' O ' HG23 ' A' ' 40' ' ' VAL . 21.7 ptm -147.51 132.68 18.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.438 ' CE1' ' HD2' ' A' ' 53' ' ' LYS . 9.4 t80 -44.62 116.97 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' CG1' HD22 ' A' ' 47' ' ' LEU . 93.7 t -105.24 118.39 52.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.03 137.93 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 tp -109.26 104.88 14.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -111.33 102.83 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.99 -99.4 0.43 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -124.91 14.05 8.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 34.3 m -122.72 141.14 52.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.466 HD22 ' CG1' ' A' ' 40' ' ' VAL . 11.1 mt -105.39 111.42 24.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -104.48 102.94 12.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.484 ' O ' ' CG ' ' A' ' 50' ' ' TYR . 4.2 mp -85.58 170.54 12.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.484 ' CG ' ' O ' ' A' ' 49' ' ' LEU . 91.6 m-85 -160.87 129.56 4.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -52.82 -41.18 63.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -137.34 157.23 47.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' HD2' ' CE1' ' A' ' 39' ' ' TYR . 52.9 tttt -85.47 34.46 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.9 ttt85 -67.21 -62.66 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -136.82 124.48 22.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -82.96 -50.01 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.1 p -43.24 -41.84 4.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.6 p -59.2 155.45 34.75 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.622 0.725 . . . . 0.0 111.148 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 60' ' ' SER . 53.4 Cg_endo -69.8 156.0 64.35 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.414 ' HA ' ' CE1' ' A' ' 50' ' ' TYR . 5.2 t -47.96 176.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 63' ' ' GLU . 77.8 mm-40 -94.57 92.92 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 42.13 24.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 61' ' ' GLU . 35.6 mm-40 -123.56 125.81 45.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.5 pm0 -70.29 151.25 95.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.649 0.737 . . . . 0.0 110.864 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 154.64 67.24 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.315 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.771 ' CG2' HG21 ' A' ' 90' ' ' THR . 36.1 mt -116.75 107.89 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 98.2 p -69.92 124.1 23.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 11.9 m -109.17 26.91 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -65.09 -37.52 87.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -133.29 51.41 2.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 p -94.29 177.33 5.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 mt -137.21 108.75 6.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.474 HG21 HG23 ' A' ' 109' ' ' ILE . 36.4 mt -89.55 143.11 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -154.45 125.04 7.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.503 ' O ' ' C ' ' A' ' 76' ' ' SER . 74.7 mt -47.72 106.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.673 ' CB ' HG13 ' A' ' 85' ' ' VAL . 4.6 p -29.77 143.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -51.47 158.79 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 m -86.39 54.43 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -134.76 -53.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.415 HG21 HG11 ' A' ' 85' ' ' VAL . 10.4 t -43.36 142.93 0.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.138 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -73.94 -27.72 61.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.459 ' HD3' ' NE1' ' A' ' 35' ' ' TRP . 5.1 mpt_? -67.2 136.28 54.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -99.08 174.54 6.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 0.6 OUTLIER 41.35 39.7 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.675 HG21 ' CH2' ' A' ' 35' ' ' TRP . 8.4 p -110.36 129.64 65.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -119.57 139.22 52.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.416 ' HA ' HD23 ' A' ' 96' ' ' LEU . 18.1 ttp180 -88.9 134.05 34.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.734 HD21 HG23 ' A' ' 90' ' ' THR . 1.6 tt -128.02 130.65 48.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.4 m -116.96 118.68 33.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.771 HG21 ' CG2' ' A' ' 66' ' ' ILE . 31.9 p -107.67 141.78 38.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' THR . 3.8 t -38.53 -31.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 90' ' ' THR . 38.7 t70 -77.74 -66.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 77.2 m -145.62 177.57 8.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.429 ' HG2' HD23 ' A' ' 20' ' ' LEU . 42.2 tt0 -115.73 148.19 40.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 17.0 p -160.47 163.59 32.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 87' ' ' ARG . 5.3 mt -106.27 166.71 10.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.404 ' CE2' ' SG ' ' A' ' 95' ' ' CYS . 55.4 m-85 -147.34 129.04 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -107.83 140.66 40.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 84' ' ' ASN . . . -108.17 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -79.12 -38.4 36.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 102' ' ' ARG . 4.5 t70 -155.48 153.69 30.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' ASP . 37.4 ttp180 -34.28 -64.05 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -43.73 -49.32 7.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -60.66 -41.74 95.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.422 ' HG3' ' CD1' ' A' ' 86' ' ' PHE . 52.0 ttp -55.71 -62.85 1.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 6.7 mp -47.52 -54.6 11.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -41.59 -36.95 1.02 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.711 ' CE2' HD11 ' A' ' 15' ' ' LEU . 37.3 m95 -76.24 -51.81 11.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.474 HG23 HG21 ' A' ' 73' ' ' ILE . 88.5 mt -49.52 -46.31 20.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.157 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 111' ' ' THR . 21.5 ttmm -68.22 -65.96 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.647 HG21 ' HB2' ' A' ' 11' ' ' LYS . 62.4 m -37.11 -56.53 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.583 HD11 ' HE3' ' A' ' 108' ' ' TRP . 13.9 mt -61.61 -55.46 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -47.46 -37.27 11.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.05 -42.79 95.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 46.0 t -71.59 -39.88 70.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 60.4 p -81.95 43.06 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -141.85 143.44 33.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 20.5 mt -110.82 113.14 25.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -145.3 117.42 8.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.7 m -145.66 129.36 17.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 155.41 -80.16 0.18 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 123' ' ' SER . 53.8 Cg_endo -69.72 0.45 5.59 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.644 2.229 . . . . 0.0 112.399 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 122' ' ' PRO . 14.5 m -37.23 -59.63 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.2 p -82.38 174.93 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.826 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -129.39 141.34 51.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 m 59.15 27.5 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.73 -72.7 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.534 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 t -130.65 86.17 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.5 m -41.22 -56.2 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.03 75.69 1.19 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -144.72 164.43 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.789 0.328 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.89 112.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB3' HD23 ' A' ' 42' ' ' LEU . . . -46.92 -45.78 20.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.526 ' HE3' ' CE2' ' A' ' 108' ' ' TRP . 29.1 tttp -157.05 165.89 34.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -162.94 161.39 25.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 151.31 160.43 9.45 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.655 ' O ' HD23 ' A' ' 15' ' ' LEU . 87.0 m95 -68.76 126.71 30.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.846 0.355 . . . . 0.0 110.893 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.767 HD11 ' CE2' ' A' ' 108' ' ' TRP . 55.4 mt -149.09 152.43 36.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CE1' ' HB2' ' A' ' 37' ' ' GLN . 99.4 m-70 -87.46 107.76 18.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.595 ' CE2' ' OE1' ' A' ' 63' ' ' GLU . 14.1 t80 -95.95 109.02 21.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 20.4 ttt180 -123.44 96.78 43.34 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.621 0.724 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.558 ' HD3' ' CE2' ' A' ' 17' ' ' PHE . 53.7 Cg_endo -69.78 141.94 46.53 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.37 -37.49 32.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.417 ' CG2' ' H ' ' A' ' 25' ' ' GLY . 10.0 p -175.33 150.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 67.1 p -129.87 -44.89 1.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -81.95 44.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 39.66 37.38 0.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' H ' ' CG2' ' A' ' 21' ' ' VAL . . . 67.42 69.84 1.27 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.47 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.33 150.97 19.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.727 0.299 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.9 ptt-85 -84.18 50.98 1.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 28' ' ' VAL . 16.4 m -90.75 78.89 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.72 -67.83 1.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 98.02 61.48 0.9 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.3 m -143.42 142.03 31.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.9 mt -120.78 133.36 67.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -104.1 155.21 37.47 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.69 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' TRP . 53.3 Cg_endo -69.76 169.96 17.7 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' PRO . 92.2 m95 -34.91 150.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.43 90.84 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.448 ' HB2' ' CE1' ' A' ' 16' ' ' HIS . 57.6 tt0 -64.36 109.27 1.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.467 ' O ' HG23 ' A' ' 40' ' ' VAL . 20.4 ptm -152.05 131.39 12.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.545 ' CE2' ' HD3' ' A' ' 53' ' ' LYS . 4.3 t80 -43.28 120.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.636 HG22 HD23 ' A' ' 49' ' ' LEU . 75.8 t -110.11 120.08 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 45.9 t -112.81 145.62 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.504 HD23 ' HB3' ' A' ' 10' ' ' ALA . 19.2 tp -118.58 105.43 11.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 43' ' ' ARG . 12.2 mtp-105 -116.66 119.21 34.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 64.02 -104.17 0.83 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -126.98 13.56 7.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.9 m -123.13 156.83 34.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.3 mt -113.09 116.65 30.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -106.67 105.12 15.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.636 HD23 HG22 ' A' ' 40' ' ' VAL . 4.4 mp -88.05 169.43 11.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 49' ' ' LEU . 56.8 m-85 -156.75 141.03 16.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 12.6 ptmt -61.64 -45.28 94.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 21.0 t0 -136.96 -178.41 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 39' ' ' TYR . 18.7 tptp -90.08 39.15 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 3.6 mmp_? -71.07 -174.9 1.04 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ARG . 53.1 mm-40 -33.81 -45.95 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.501 ' CD ' ' CE2' ' A' ' 50' ' ' TYR . 22.8 tt0 65.11 28.6 12.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.0 m -63.43 -46.51 85.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.07 159.7 72.62 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.582 0.706 . . . . 0.0 111.169 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -14.78 36.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.4 p -175.03 158.23 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -98.02 -59.11 1.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' OE1' ' C ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -123.06 -36.43 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.595 ' OE1' ' CE2' ' A' ' 17' ' ' PHE . 8.6 mt-10 -79.93 173.29 12.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -116.62 153.27 49.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.526 0.679 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 141.55 45.42 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.368 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.509 HG22 HG21 ' A' ' 90' ' ' THR . 17.1 mt -114.28 123.55 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.3 m -76.5 104.89 7.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.1 m -69.86 -22.36 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.521 ' O ' ' HB3' ' A' ' 70' ' ' ALA . 11.6 t-20 -38.55 111.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 69' ' ' ASN . . . 72.69 40.76 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -94.96 139.4 31.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.67 103.98 15.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.516 HG21 HG23 ' A' ' 109' ' ' ILE . 42.1 mt -92.27 143.62 10.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -162.77 126.75 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 76' ' ' SER . 85.9 mt -46.04 104.74 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 75' ' ' ILE . 1.5 t -35.37 153.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -48.25 177.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.435 ' HA ' ' NH2' ' A' ' 82' ' ' ARG . 11.8 t -112.33 51.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -123.24 -62.11 1.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.938 HG23 ' NE ' ' A' ' 82' ' ' ARG . 1.8 t -47.51 137.02 9.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 ptpp? -71.75 90.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.938 ' NE ' HG23 ' A' ' 80' ' ' THR . 0.0 OUTLIER -159.35 178.48 9.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -144.11 133.87 23.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 63.41 52.75 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.579 HG21 ' HD3' ' A' ' 82' ' ' ARG . 93.3 t -113.37 133.12 60.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.479 ' N ' ' CD1' ' A' ' 86' ' ' PHE . 1.2 p90 -123.03 133.73 54.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.548 ' HA ' HD23 ' A' ' 96' ' ' LEU . 20.9 ttp180 -88.8 120.14 29.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.798 HD21 ' CG2' ' A' ' 90' ' ' THR . 3.1 tt -113.18 130.33 56.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.6 m -118.54 117.65 29.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.798 ' CG2' HD21 ' A' ' 88' ' ' LEU . 11.1 p -108.69 139.2 43.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 90' ' ' THR . 72.4 m -37.4 -33.14 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 90' ' ' THR . 44.4 t0 -73.57 -69.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -137.85 178.9 6.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -125.02 130.81 53.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 19' ' ' PRO . 16.2 p -145.68 173.0 12.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.548 HD23 ' HA ' ' A' ' 87' ' ' ARG . 24.6 mt -115.63 170.14 8.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.568 ' O ' HG13 ' A' ' 85' ' ' VAL . 75.6 m-85 -148.7 140.59 23.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.551 ' O ' HD22 ' A' ' 15' ' ' LEU . 8.7 tt0 -111.85 165.69 11.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.17 149.93 37.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.38 -58.45 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.07 146.21 43.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.793 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.6 ttp180 -44.67 -60.05 2.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -39.54 -50.81 2.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -57.03 -46.9 82.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.461 ' SD ' ' CD1' ' A' ' 109' ' ' ILE . 14.8 tmm? -56.41 -55.82 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.42 HD22 ' SD ' ' A' ' 105' ' ' MET . 4.2 mm? -51.84 -42.33 62.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.72 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.767 ' CE2' HD11 ' A' ' 15' ' ' LEU . 51.7 m95 -60.08 -60.56 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.516 HG23 HG21 ' A' ' 73' ' ' ILE . 61.0 mt -41.24 -52.99 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.143 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -63.36 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.478 HG21 ' HB2' ' A' ' 11' ' ' LYS . 75.3 m -42.48 -60.39 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.5 mt -56.38 -57.03 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -47.0 -39.71 13.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -61.07 -49.44 77.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 t -58.99 -39.85 83.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.8 p -72.12 -25.38 61.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -81.9 150.36 27.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 119' ' ' ASN . 5.0 mp -78.44 45.35 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 118' ' ' LEU . 0.7 OUTLIER 34.4 40.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 52.9 p -62.45 114.8 3.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.75 168.66 5.33 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.5 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 151.79 69.03 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.702 2.268 . . . . 0.0 112.356 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.5 m -108.59 128.39 54.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 13.1 t -70.13 155.17 41.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.506 179.993 . . . . . . . . 0 0 . 1 stop_ save_