data_2ea5_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 2ea5 _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 ' 18' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 m -93.88 22.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' A' ' 46' ' ' PHE . 88.1 t -118.81 -52.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.59 -15.21 11.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 39.28 37.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -119.3 -35.62 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.17 161.53 12.65 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.3 t -84.02 123.23 29.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 38' ' ' LEU . 5.1 m -68.28 122.13 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -129.68 39.84 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 75.7 m95 -150.25 133.83 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 60' ' ' PHE . 33.5 m -98.2 141.77 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 36.8 mt -101.97 79.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.0 mt -61.63 157.28 48.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.952 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.67 -47.75 0.3 Allowed 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.344 -0.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.86 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttp85 67.16 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 52.0 m170 -101.37 128.85 47.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -100.6 80.31 2.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.4 m -131.36 27.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' N ' HG13 ' A' ' 26' ' ' VAL . 65.2 mt -145.94 112.28 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 41' ' ' GLY . 34.6 m -53.84 162.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.1 m-20 -42.78 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 39' ' ' CYS . . . -100.72 -46.08 1.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 m -61.13 -15.53 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.97 -32.33 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -91.29 -20.94 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -56.83 -44.74 82.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -120.62 114.79 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -61.53 -19.55 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.56 176.65 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' MET . 16.8 t -84.34 124.98 73.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 9.03 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' CYS . 8.3 mtm -122.14 -61.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.28 -16.62 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 44.9 mmm-85 58.23 50.46 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -104.84 126.84 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -43.71 110.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.31 106.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -92.37 -33.38 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 3.1 pt-20 -144.35 147.66 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -147.88 133.61 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.441 ' CE2' HG21 ' A' ' 29' ' ' VAL . 8.6 p90 -137.91 150.51 47.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.72 132.7 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.432 HD22 ' CG1' ' A' ' 29' ' ' VAL . 8.5 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -88.59 16.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.4 t -110.68 -40.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.22 -16.82 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 44.2 40.12 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.3 -46.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.48 30.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.9 m -97.69 110.36 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.151 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.422 HG11 ' C ' ' A' ' 38' ' ' LEU . 7.0 m -57.13 113.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -123.44 37.08 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 79.9 m95 -145.72 133.48 21.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.433 ' CG1' HD23 ' A' ' 62' ' ' LEU . 18.6 m -100.24 138.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.9 mt -99.28 71.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.1 mt -55.28 156.64 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 110.992 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.8 -44.61 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.359 -0.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -31.53 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' PRO . 12.9 ttp-105 61.89 55.03 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 57.3 m170 -105.43 112.2 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 p -84.15 82.12 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.32 32.22 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' C ' HG11 ' A' ' 26' ' ' VAL . 71.5 mt -155.04 118.27 4.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.71 173.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 t0 -59.39 -11.61 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.23 -30.7 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.9 m -82.19 -10.98 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 44' ' ' LYS . 8.5 p -64.08 -30.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' N ' HG11 ' A' ' 43' ' ' VAL . 24.2 pttt -90.74 -17.05 27.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.66 -37.44 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -128.9 94.31 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.934 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -20.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -112.35 164.61 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 51' ' ' MET . 16.6 t -76.36 119.83 79.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 9.67 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.423 ' H ' ' C ' ' A' ' 49' ' ' CYS . 20.3 mtm -119.15 -56.57 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -100.97 -14.28 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.3 mmt85 59.72 47.7 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -104.49 130.62 52.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.05 108.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.66 101.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.8 pt20 -85.74 -39.71 16.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 4.0 pt-20 -139.51 140.94 37.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -140.96 122.36 14.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -124.39 150.68 45.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.15 136.62 35.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 29' ' ' VAL . 18.6 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.354 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 m -93.51 21.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.1 t -119.88 -46.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.1 p -124.37 -6.87 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.506 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 29.73 46.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -125.62 -38.14 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.64 175.55 21.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.1 m -97.99 113.0 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.425 HG11 ' C ' ' A' ' 38' ' ' LEU . 9.4 m -61.17 113.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -123.25 32.74 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.507 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.7 m95 -141.77 135.61 29.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.6 m -101.64 143.48 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 54.4 mt -103.68 71.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.7 mt -54.61 157.96 4.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.8 Cg_endo -69.85 -45.79 0.4 Allowed 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.279 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.1 p -28.74 -40.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 19.2 ttp-105 65.09 54.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -107.75 119.57 39.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.411 HG21 ' CD1' ' A' ' 62' ' ' LEU . 37.5 p -90.88 81.23 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.05 29.41 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 42' ' ' CYS . 32.1 mt -149.89 119.65 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 m -58.46 169.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.507 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.1 t70 -49.26 -19.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 -53.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' CB ' HD22 ' A' ' 38' ' ' LEU . 15.3 m -55.22 -17.09 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.0 p -62.68 -34.03 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -91.77 -15.0 28.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.71 -40.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.49 134.32 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -83.72 32.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -158.77 171.78 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.424 ' C ' ' H ' ' A' ' 51' ' ' MET . 11.9 t -84.52 119.81 73.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 9.73 0.56 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.424 ' H ' ' C ' ' A' ' 49' ' ' CYS . 8.4 mtm -118.16 -62.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.8 p -96.77 -16.43 20.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.1 mmt85 63.49 45.9 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -101.33 129.16 47.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -47.01 115.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.7 t -73.55 107.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -89.17 -36.97 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.472 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 3.6 pt-20 -144.21 148.5 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -147.17 136.08 22.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.9 p90 -141.41 155.44 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.69 130.59 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' A' ' 36' ' ' THR . 14.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.4 m -94.58 27.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.59 -54.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.59 -17.82 13.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 40.96 36.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.68 -32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.84 -158.45 29.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.5 m -130.63 100.73 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 2.8 m -41.73 119.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 30.9 t30 -133.39 36.21 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.569 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 67.9 m95 -153.44 128.9 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.5 m -94.97 135.93 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 48.7 mt -94.94 69.59 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.492 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 5.3 mt -53.61 158.51 3.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.5 Cg_endo -69.69 -45.74 0.4 Allowed 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.435 -0.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.4 p -28.5 -41.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.3 ttp-105 66.5 53.28 0.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.8 m170 -107.08 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.41 71.86 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 p -117.29 33.85 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 74.5 mt -156.61 116.96 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -58.01 168.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.7 p-10 -44.45 -27.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.08 -51.71 1.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.0 m -54.83 -16.53 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.2 p -60.03 -37.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -88.65 -19.61 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -56.52 -44.35 80.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.459 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -123.85 103.26 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -52.96 -20.58 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.47 162.87 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' MET . 12.4 t -72.37 119.55 75.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 9.35 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.775 2.317 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' CYS . 31.7 mtp -119.01 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -95.12 -18.72 20.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.0 mmm180 65.19 51.72 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -109.3 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -42.7 110.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.86 101.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.28 -37.76 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -143.23 145.45 32.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -147.8 122.62 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.8 p90 -127.3 149.76 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.08 133.36 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' CG2' ' A' ' 20' ' ' VAL . 12.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.972 0.415 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.92 -38.4 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.477 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.8 m -61.22 -35.8 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' N ' HG21 ' A' ' 20' ' ' VAL . 17.1 p -123.76 -22.79 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 40.63 36.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -119.3 -40.93 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.08 163.69 13.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.421 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -79.75 138.02 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 38' ' ' LEU . 7.5 m -87.35 123.19 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -126.71 34.76 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -147.02 148.54 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 62' ' ' LEU . 32.8 m -113.35 145.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 46.8 mt -105.89 72.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.3 mt -60.42 157.09 37.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.1 Cg_endo -69.75 -45.44 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.309 -0.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -40.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' PRO . 33.2 ttp180 62.32 54.95 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 63.2 m170 -104.57 108.38 19.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.4 p -80.17 81.92 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.0 p -132.84 34.3 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' N ' HG12 ' A' ' 26' ' ' VAL . 62.6 mt -151.51 118.13 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 m -59.72 174.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -59.64 -11.71 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.73 -23.07 5.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.76 -16.04 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.75 -31.44 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -3.85 50.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -77.21 -31.68 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.477 ' CE2' HG12 ' A' ' 20' ' ' VAL . 2.3 m-85 -131.45 126.38 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.29 0.94 17.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -135.19 175.94 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 51' ' ' MET . 11.5 t -85.92 118.91 71.36 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 10.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.722 2.281 . . . . 0.0 112.381 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.428 ' H ' ' C ' ' A' ' 49' ' ' CYS . 31.3 mtm -119.71 -54.31 2.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 p -106.26 -12.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.6 mmm180 59.21 48.05 10.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -99.6 127.82 45.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -49.42 109.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.32 103.44 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.412 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 4.2 pt20 -88.65 -32.03 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 5.5 pt-20 -147.38 142.06 26.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -142.31 123.86 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.7 p90 -129.54 143.64 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.26 127.81 33.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.467 HD21 ' CG1' ' A' ' 29' ' ' VAL . 15.5 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.878 0.371 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 m -106.03 -32.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.18 -52.63 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -106.78 -37.87 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 61.44 45.94 8.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -133.96 -41.2 0.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.16 174.19 27.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.4 m -95.65 115.15 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.305 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -63.44 113.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -119.9 32.66 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 87.7 m95 -142.19 138.19 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 36' ' ' THR . 20.4 m -105.18 139.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 52.2 mt -99.99 72.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -61.34 156.99 47.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.3 Cg_endo -69.71 -44.49 0.5 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.354 -0.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.547 ' SG ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -29.72 -41.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' PRO . 13.8 ttp180 62.71 54.91 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 56.4 m170 -107.04 108.75 20.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.46 ' CG2' HG11 ' A' ' 29' ' ' VAL . 17.4 p -80.9 79.47 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 p -127.48 33.4 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 46' ' ' PHE . 97.1 mt -154.49 119.3 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 m -62.56 172.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -51.69 -16.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.66 -39.19 1.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 m -69.5 -18.01 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.0 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -87.72 -15.53 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.2 m-85 -63.0 -36.65 84.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -131.48 114.24 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.36 -14.03 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -122.11 161.05 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 51' ' ' MET . 19.6 t -73.64 118.37 68.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.63 9.56 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.748 2.298 . . . . 0.0 112.417 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.423 ' H ' ' C ' ' A' ' 49' ' ' CYS . 41.1 mtm -117.12 -61.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -96.84 -15.04 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.9 mmm180 62.43 46.51 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -101.59 130.43 47.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -52.96 110.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.43 95.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.452 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 6.2 pt20 -85.8 -27.89 24.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.452 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.7 pt-20 -151.54 142.77 23.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -148.37 122.83 9.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.2 p90 -122.8 158.73 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.71 34.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 m -93.08 16.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.456 HG22 ' CE1' ' A' ' 46' ' ' PHE . 88.9 t -110.93 -62.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.61 -30.92 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 60.28 42.5 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -128.92 -42.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.17 163.59 15.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.556 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -88.75 120.24 29.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.107 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 38' ' ' LEU . 9.3 m -63.08 125.85 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -134.94 41.25 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 79.0 m95 -150.24 130.29 13.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.444 HG12 ' CG2' ' A' ' 36' ' ' THR . 25.8 m -94.67 128.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 83.6 mt -86.92 71.91 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 14.6 mt -56.34 156.8 10.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.69 -46.07 0.38 Allowed 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.389 -0.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.03 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.8 ttt180 69.5 53.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -105.64 124.84 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.444 ' CG2' HG12 ' A' ' 29' ' ' VAL . 39.1 p -96.34 81.41 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 m -132.43 36.32 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' N ' HG12 ' A' ' 26' ' ' VAL . 81.2 mt -155.81 109.47 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.007 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.6 m -47.72 167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.439 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.0 p30 -46.52 -20.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.71 -48.03 1.13 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.3 m -57.44 -15.89 8.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.399 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 44' ' ' LYS . 7.2 p -61.9 -37.26 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 43' ' ' VAL . 10.5 pttm -87.93 -16.8 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.93 -43.17 99.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.456 ' CE1' HG22 ' A' ' 20' ' ' VAL . 2.7 m-85 -120.05 95.45 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -45.32 -22.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -112.25 173.36 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 33.8 t -82.67 122.41 78.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.605 0.717 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 7.3 1.03 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.749 2.3 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.404 ' H ' ' C ' ' A' ' 49' ' ' CYS . 17.1 mtm -116.02 -61.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.5 p -97.47 -20.04 18.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 12.1 mmm180 62.95 51.35 2.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' PHE . 10.4 tt0 -108.07 120.4 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.1 t80 -34.92 112.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.54 100.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.174 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.464 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 2.5 pt20 -78.02 -34.5 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 12.9 pt-20 -152.17 155.82 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -149.54 124.99 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 3.3 p90 -129.33 150.55 50.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.12 125.2 28.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.981 0.419 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.27 -37.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.482 HG11 ' CZ ' ' A' ' 46' ' ' PHE . 16.0 m -61.0 -35.21 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' N ' HG21 ' A' ' 20' ' ' VAL . 17.8 p -119.83 -39.36 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 61.34 44.94 9.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.03 -43.12 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.92 168.23 19.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.5 m -87.61 131.81 34.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 38' ' ' LEU . 4.2 m -77.96 118.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -124.91 39.47 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 73.8 m95 -150.49 135.76 17.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' A' ' 36' ' ' THR . 27.5 m -98.82 137.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 27.7 mt -99.28 70.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 13.5 mt -59.48 157.29 26.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.83 -46.25 0.37 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -41.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.4 ttp180 64.43 55.06 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.409 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 67.5 m170 -108.42 107.98 18.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.453 ' CG2' HG11 ' A' ' 29' ' ' VAL . 47.0 p -78.77 83.04 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.2 m -132.68 34.4 3.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 46' ' ' PHE . 55.9 mt -152.04 111.66 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.02 171.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -49.19 -29.06 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.83 -44.92 2.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.9 m -58.44 -16.79 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.3 p -59.81 -33.02 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -93.34 -17.37 23.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CD1' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -125.89 93.16 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -44.18 -25.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -110.91 169.36 8.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 51' ' ' MET . 41.1 t -78.19 120.43 81.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 9.5 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.417 ' H ' ' C ' ' A' ' 49' ' ' CYS . 11.9 mtm -116.82 -60.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -97.65 -18.38 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 64.14 48.89 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' HG2' ' A' ' 32' ' ' PRO . 5.4 tt0 -105.82 119.51 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -39.36 115.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.65 106.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -89.45 -37.83 14.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.4 pt-20 -141.63 137.95 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.7 p -139.49 122.06 16.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.6 p90 -128.32 151.09 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.01 128.74 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.427 ' SG ' ' CG2' ' A' ' 20' ' ' VAL . 11.1 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.918 0.389 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.0 -33.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.566 HG13 ' CE1' ' A' ' 46' ' ' PHE . 16.7 m -63.14 -33.19 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.437 ' N ' HG22 ' A' ' 20' ' ' VAL . 30.6 p -118.87 -34.69 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 58.79 33.46 23.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -125.97 -44.34 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.76 176.08 27.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -95.91 148.37 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 m -91.11 123.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 42.6 t30 -132.14 39.29 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 27' ' ' ASN . 80.1 m95 -156.95 115.27 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG1' HD21 ' A' ' 62' ' ' LEU . 16.6 m -82.31 136.29 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 78.1 mt -96.36 80.49 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.5 mt -65.79 158.37 75.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.5 Cg_endo -69.77 -47.86 0.29 Allowed 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.294 -0.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.61 -43.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttt-85 68.79 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.431 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 61.7 m170 -106.92 99.74 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.3 63.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.0 39.5 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 46' ' ' PHE . 96.6 mt -156.38 118.1 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.42 172.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.499 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.9 p-10 -49.04 -29.28 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.3 -47.24 2.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.17 -26.11 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.23 -33.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -94.21 -18.85 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.408 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 4.9 m-85 -59.12 -43.76 91.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE1' HG13 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -124.72 91.2 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.64 -23.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -113.7 151.03 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 51' ' ' MET . 11.6 t -60.72 118.56 35.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 9.9 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.259 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' CYS . 20.3 mtm -118.93 -63.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.4 p -93.32 -17.64 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmt85 65.21 47.55 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -104.4 127.99 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -49.84 112.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.23 99.35 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.514 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 12.8 pt20 -87.44 -34.37 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.514 ' OE2' ' NE2' ' A' ' 57' ' ' GLN . 7.5 pt-20 -145.38 143.8 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -148.91 140.11 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 5.4 p90 -139.88 152.33 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.66 127.52 32.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.47 HD21 ' CG1' ' A' ' 29' ' ' VAL . 20.5 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.37 28.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.426 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 77.0 t -125.1 -47.71 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -116.03 -31.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 57.34 43.29 23.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -132.43 -33.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.49 157.52 14.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -83.67 121.91 27.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.433 HG13 ' C ' ' A' ' 38' ' ' LEU . 1.6 m -62.57 111.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -120.83 35.63 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 65.4 m95 -146.89 135.93 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.475 HG11 ' CG2' ' A' ' 36' ' ' THR . 28.5 m -101.9 139.51 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 72.3 mt -98.96 76.15 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 6.2 mt -60.12 157.2 33.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.9 Cg_endo -69.85 -45.21 0.44 Allowed 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.325 -0.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.513 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.87 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 32' ' ' PRO . 34.8 ttt180 65.61 54.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.486 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 64.3 m170 -107.24 124.89 50.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.475 ' CG2' HG11 ' A' ' 29' ' ' VAL . 16.6 p -92.1 85.37 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.3 p -133.43 30.49 3.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' C ' HG13 ' A' ' 26' ' ' VAL . 87.0 mt -153.9 114.38 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -53.96 173.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.1 p-10 -53.82 -17.46 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.77 -42.95 1.49 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.54 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 m -64.62 -17.93 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -59.51 -31.63 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.47 -22.97 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.99 -42.67 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 2.5 m-85 -118.17 122.7 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.43 -20.6 62.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -118.68 174.66 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -81.43 120.78 79.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.699 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 8.5 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.758 2.306 . . . . 0.0 112.37 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.414 ' H ' ' C ' ' A' ' 49' ' ' CYS . 42.6 mtm -118.31 -59.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -97.29 -16.43 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.4 mmt85 61.27 48.65 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -105.24 124.58 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -42.87 117.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -78.41 100.6 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.466 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 14.6 pt20 -86.17 -31.72 21.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.6 pt-20 -147.47 146.09 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -147.78 125.16 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.8 p90 -128.55 145.19 51.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.59 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.41 31.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -126.4 -47.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -117.07 -31.0 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 58.89 42.28 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.94 -33.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.69 153.91 17.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m -78.7 126.11 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -65.51 110.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.441 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 50.2 t30 -120.61 41.45 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 66.4 m95 -152.05 148.06 27.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.1 m -113.88 144.83 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.425 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 74.1 mt -108.24 74.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.2 mt -63.09 157.63 60.79 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' ARG . 54.0 Cg_endo -69.81 -46.03 0.39 Allowed 'Cis proline' 0 C--O 1.231 0.134 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.325 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -30.39 -38.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' PRO . 11.3 ttm180 56.85 54.98 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -103.52 103.27 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -70.16 83.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -134.74 38.62 3.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.5 mt -159.34 128.86 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 m -68.96 179.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.565 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.34 -26.23 51.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 -42.64 2.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.56 -30.78 70.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 44' ' ' LYS . 7.2 p -55.26 -33.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -93.76 -17.55 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -58.6 -37.56 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -128.22 132.11 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -83.18 20.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -151.75 156.46 40.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 29.3 t -68.66 122.93 86.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 7.8 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.408 ' H ' ' C ' ' A' ' 49' ' ' CYS . 40.2 mtm -120.41 -65.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -89.03 -20.06 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 41.6 mmm-85 62.97 44.36 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -96.83 126.58 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -45.91 106.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.84 108.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -90.74 -41.18 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -139.75 145.21 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.7 m -146.95 140.73 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.9 p90 -142.68 158.45 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.86 127.7 34.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.14 -36.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 46' ' ' PHE . 29.3 m -62.39 -31.98 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.45 ' N ' HG21 ' A' ' 20' ' ' VAL . 19.7 p -124.34 -43.87 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 63.61 39.86 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -128.42 -35.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.66 160.59 13.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -80.39 131.83 35.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 m -78.29 121.95 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.473 ' ND2' ' HB2' ' A' ' 61' ' ' ALA . 34.9 t30 -127.76 33.7 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.498 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.9 m95 -144.42 136.59 26.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 36' ' ' THR . 19.0 m -100.95 143.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 40.8 mt -105.54 71.21 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.0 mt -59.81 156.98 31.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.4 Cg_endo -69.81 -44.09 0.55 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.258 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.53 ' SG ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -30.39 -40.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' PRO . 42.6 ttp180 63.21 55.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.53 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 59.4 m170 -106.92 110.76 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.42 ' CG2' HG11 ' A' ' 29' ' ' VAL . 37.6 p -83.64 78.45 9.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 p -130.52 34.29 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.7 mt -153.73 106.61 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.41 168.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 8.4 p-10 -54.25 -19.01 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.18 -17.22 16.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.4 m -93.63 -26.23 17.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.67 -22.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -30.47 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.73 -35.22 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 20' ' ' VAL . 6.9 m-85 -120.6 94.62 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -51.97 -17.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.64 166.95 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' ARG . 18.1 t -80.23 119.57 76.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 0.0 110.98 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 7.36 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mtm -111.11 -53.71 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 17.0 p -106.04 -13.76 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' CYS . 10.6 mmt85 57.8 47.99 14.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -105.09 120.5 41.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -41.69 114.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.52 101.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 9.0 pt20 -83.59 -32.49 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.1 pt-20 -148.31 143.87 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.7 p -143.68 122.68 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.4 p90 -124.27 151.92 43.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB2' ' ND2' ' A' ' 27' ' ' ASN . . . -84.22 117.95 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ALA . 29.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.07 -38.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 21' ' ' CYS . 16.2 m -63.2 -33.85 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' N ' HG23 ' A' ' 20' ' ' VAL . 15.0 p -125.04 -26.85 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 43.15 39.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -125.82 -38.01 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.26 164.59 15.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -83.94 123.15 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.5 m -73.33 123.04 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -127.32 32.53 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.506 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.6 m95 -145.78 153.27 40.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.53 146.54 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 24.7 mt -105.83 73.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 8.1 mt -61.18 157.88 40.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.595 0.712 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' ARG . 54.1 Cg_endo -69.67 -45.5 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.4 -0.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.6 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' PRO . 7.8 ttm105 59.97 55.06 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -103.63 108.76 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.8 p -78.58 81.42 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.2 p -129.98 28.84 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -150.02 127.6 11.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLY . 55.7 m -71.08 169.71 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.506 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 p-10 -42.32 -24.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -100.98 -55.46 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 17.2 m -47.7 -22.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.68 -36.22 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -92.73 -18.31 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.45 ' CB ' ' CE1' ' A' ' 46' ' ' PHE . 5.2 m-85 -57.78 -39.92 78.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.593 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -131.15 94.04 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -44.37 -21.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' PHE . 30.1 mt-30 -110.86 171.49 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.409 ' C ' ' H ' ' A' ' 51' ' ' MET . 12.8 t -84.36 121.31 75.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.43 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 49' ' ' CYS . 19.9 mtp -116.82 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -98.56 -19.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.0 mmt180 65.43 43.85 3.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -99.66 130.58 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -52.13 105.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.69 101.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -85.35 -41.35 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -136.22 144.44 44.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 t -146.93 123.9 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.8 p90 -126.21 148.48 49.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 119.24 21.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.2 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 HG22 ' N ' ' A' ' 20' ' ' VAL . 31.1 m -106.25 -26.87 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 ' CD2' ' A' ' 38' ' ' LEU . 42.3 t -63.0 -56.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -101.82 -36.63 8.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 64.57 42.46 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -134.39 -44.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.65 158.35 20.87 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -81.4 131.39 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -76.73 115.89 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.39 39.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 67.6 m95 -148.6 140.13 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.459 HG12 ' CG2' ' A' ' 36' ' ' THR . 21.3 m -104.69 139.34 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 25.0 mt -101.73 76.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.512 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.4 mt -61.93 156.16 58.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.4 Cg_endo -69.69 -47.84 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.365 -0.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.501 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -29.5 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.4 ttp180 61.4 54.73 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -104.39 112.53 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.459 ' CG2' HG12 ' A' ' 29' ' ' VAL . 24.1 p -81.29 84.4 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -133.79 35.33 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 20' ' ' VAL . 32.2 mt -154.24 115.54 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -56.03 165.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.0 p-10 -41.83 -29.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.48 -53.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.8 m -47.66 -22.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.347 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -56.54 -36.7 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -88.38 -18.97 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -59.6 -37.58 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.426 ' CZ ' HG22 ' A' ' 20' ' ' VAL . 1.8 m-85 -126.74 130.86 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.36 16.73 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -156.36 135.03 11.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.8 t -47.32 116.8 4.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.26 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mtm -114.06 -62.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -93.26 -20.97 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.7 mmm-85 64.88 52.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.93 119.92 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.44 110.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.58 105.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.453 ' CD ' ' OE1' ' A' ' 58' ' ' GLU . 14.4 pt20 -90.68 -33.62 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 3.9 pt-20 -145.02 142.1 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.3 p -147.17 129.58 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.444 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 6.1 p90 -132.9 148.87 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.03 120.39 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.6 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 m -96.77 33.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.409 HG13 ' CZ ' ' A' ' 46' ' ' PHE . 77.4 t -126.67 -56.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -105.56 -32.96 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 61.37 44.49 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -132.52 -38.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.53 162.06 12.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -87.29 128.09 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.342 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG12 ' C ' ' A' ' 38' ' ' LEU . 13.9 m -69.32 127.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -131.97 35.28 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.537 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.8 m95 -144.75 138.47 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.466 ' HB ' ' CG ' ' A' ' 34' ' ' ARG . 20.3 m -105.59 130.02 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 80.2 mt -92.46 79.98 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 6.1 mt -64.09 158.31 64.22 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.77 -48.28 0.28 Allowed 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.72 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.8 ttt180 62.4 54.54 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -103.71 107.27 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p -77.65 86.5 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.9 36.62 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' C ' HG12 ' A' ' 26' ' ' VAL . 56.1 mt -155.76 121.44 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.8 m -61.71 162.25 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.537 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-20 -42.32 -26.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 -49.12 2.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.423 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 m -59.24 -16.58 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.04 -45.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -86.33 -15.59 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.89 -39.09 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.428 ' C ' ' H ' ' A' ' 48' ' ' GLN . 3.5 m-85 -128.79 125.95 38.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -79.64 32.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' A' ' 46' ' ' PHE . 26.9 mt-30 -158.61 174.79 14.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 16.6 t -87.18 120.19 71.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.82 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 8.72 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' CYS . 8.3 mtm -119.24 -63.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.0 p -97.23 -16.06 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmm180 62.59 46.04 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.05 127.26 42.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -45.18 112.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.8 t -72.97 107.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -95.3 -34.01 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -143.93 145.32 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.6 m -148.66 128.95 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.3 p90 -131.46 146.54 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.18 122.93 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' SG ' ' CG2' ' A' ' 20' ' ' VAL . 14.7 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.334 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.85 -36.75 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.545 HG12 ' CE1' ' A' ' 46' ' ' PHE . 17.0 m -61.68 -33.35 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.45 ' N ' HG23 ' A' ' 20' ' ' VAL . 21.3 p -124.41 -41.92 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 61.92 43.76 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -129.56 -39.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.77 162.44 14.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.6 t -82.81 124.63 30.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 38' ' ' LEU . 7.8 m -73.37 126.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -130.45 30.61 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.435 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 79.9 m95 -142.47 141.88 32.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.449 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 25.8 m -109.03 137.74 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.437 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 48.4 mt -97.68 76.43 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.4 mt -66.01 157.85 78.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.54 0.685 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -47.02 0.33 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.326 -0.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.33 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' PRO . 58.4 ttp85 64.31 55.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 63.0 m170 -106.74 99.04 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -70.62 82.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 p -131.11 32.56 4.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' N ' HG13 ' A' ' 26' ' ' VAL . 93.8 mt -152.22 117.39 5.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.15 178.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.435 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.6 -15.17 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.75 -40.16 1.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.4 m -65.43 -14.2 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 44' ' ' LYS . 7.5 p -64.47 -31.66 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.467 ' N ' HG13 ' A' ' 43' ' ' VAL . 6.0 pttm -94.39 -14.04 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.28 -36.11 83.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.545 ' CE1' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -130.51 96.39 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -47.63 -19.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -115.72 168.35 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.3 t -81.78 120.78 78.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 7.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.6 mtp -116.2 -59.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -97.73 -21.26 17.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 65.27 46.38 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -102.98 122.38 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -44.29 107.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.72 104.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -90.02 -32.41 16.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -145.49 144.87 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.7 p -148.06 122.1 9.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 3.3 p90 -122.09 156.72 32.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.0 127.89 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.952 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.445 ' HB3' ' N ' ' A' ' 22' ' ' GLN . 38.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 33.7 m -109.75 -36.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 46' ' ' PHE . 18.2 m -74.31 -35.19 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' N ' HG23 ' A' ' 20' ' ' VAL . 15.1 p -127.91 -19.13 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 4.9 pt20 39.36 35.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -118.81 -29.98 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.05 166.49 12.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -84.38 129.58 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG11 ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -77.93 112.58 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -124.15 39.51 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 81.1 m95 -152.17 120.98 6.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.476 HG12 ' CG2' ' A' ' 36' ' ' THR . 20.9 m -88.72 139.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 53.3 mt -100.66 76.37 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -61.11 157.55 41.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.75 -47.01 0.33 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.336 -0.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -42.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' PRO . 38.8 ttp180 65.67 54.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 61.7 m170 -107.46 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.476 ' CG2' HG12 ' A' ' 29' ' ' VAL . 11.3 p -85.29 79.76 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.167 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 22.2 p -127.19 33.03 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' C ' HG11 ' A' ' 26' ' ' VAL . 91.8 mt -155.97 115.43 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 57.2 m -53.16 175.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.813 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.567 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.9 p30 -46.98 -32.72 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.25 -54.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.9 m -46.14 -24.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -56.66 -38.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -88.98 -16.98 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.435 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.7 m-85 -60.6 -38.26 84.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -129.75 93.46 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -42.91 -22.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' PHE . 18.4 mt-30 -110.76 170.3 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 17.1 t -84.66 121.22 74.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.63 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 mtp -114.41 -60.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.91 -21.78 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 18.1 mmm180 64.97 51.45 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -110.83 127.54 55.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -45.95 116.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.82 103.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -87.5 -32.53 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 8.5 pt-20 -145.49 148.14 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -148.27 123.87 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.1 p90 -129.53 139.72 51.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.95 133.36 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.2 m -103.64 33.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.418 HG21 ' CD2' ' A' ' 38' ' ' LEU . 89.0 t -130.54 -47.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.5 -37.07 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 63.95 44.1 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -134.19 -33.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.27 156.83 15.4 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -80.76 136.86 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 38' ' ' LEU . 9.6 m -81.21 121.83 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -129.3 38.23 3.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.1 m95 -145.78 137.12 24.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 HG11 ' CG2' ' A' ' 36' ' ' THR . 33.8 m -101.42 131.82 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 71.5 mt -92.33 71.48 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.0 mt -58.92 158.19 17.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.537 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.8 -46.54 0.36 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.607 -1.83 . . . . 0.0 112.367 -0.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.537 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -26.99 -43.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.8 ttp180 67.58 54.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -110.13 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.471 ' CG2' HG11 ' A' ' 29' ' ' VAL . 14.3 p -81.34 84.43 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 p -133.79 37.48 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' N ' HG11 ' A' ' 26' ' ' VAL . 44.5 mt -158.22 117.37 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -56.08 166.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.563 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 5.2 t70 -42.95 -33.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.33 -48.99 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -53.66 -22.25 8.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 40' ' ' ASP . 10.1 p -57.51 -34.56 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -90.07 -21.28 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -55.83 -41.9 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -120.97 129.37 53.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -87.45 16.61 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -156.17 133.43 10.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -45.97 116.94 3.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 7.93 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.63 2.22 . . . . 0.0 112.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.405 ' H ' ' C ' ' A' ' 49' ' ' CYS . 30.6 mtm -116.3 -64.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.976 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.88 -19.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmm180 66.54 43.82 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -97.43 126.74 42.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -48.47 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.21 106.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -96.23 -33.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HG3' ' HB2' ' A' ' 31' ' ' LEU . 7.7 pt-20 -144.44 147.12 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.7 p -148.79 124.29 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.5 p90 -123.98 147.66 47.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.23 129.24 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 13.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG21 ' N ' ' A' ' 20' ' ' VAL . 27.3 m -128.16 -31.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 46' ' ' PHE . 15.4 m -67.8 -34.62 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.44 ' N ' HG23 ' A' ' 20' ' ' VAL . 18.2 p -118.99 -38.01 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 56.57 40.54 29.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -132.86 -34.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -159.8 29.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.9 m -120.29 122.63 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.782 0.325 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 18' ' ' CYS . 4.0 m -67.95 119.71 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 42.2 t30 -133.77 41.23 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.5 m95 -155.64 114.32 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.472 ' HB ' ' CG ' ' A' ' 34' ' ' ARG . 17.1 m -83.72 134.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.436 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 75.2 mt -96.02 81.42 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -65.64 157.12 80.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 0.0 110.931 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.6 Cg_endo -69.7 -47.82 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.764 -1.765 . . . . 0.0 112.303 -0.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.4 ttt180 62.27 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 61.9 m170 -104.29 95.95 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.429 HG22 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -70.31 76.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.4 m -122.14 31.48 6.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 46' ' ' PHE . 96.9 mt -149.67 120.89 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.28 165.36 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.558 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 5.6 p-10 -49.27 -20.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.7 -22.14 8.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.3 m -83.28 -36.79 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 12.6 p -51.36 -21.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 45' ' ' TYR . 3.2 pttm -93.99 -27.97 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.3 m-85 -64.37 -28.92 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD1' HD23 ' A' ' 38' ' ' LEU . 1.3 m-85 -127.31 130.42 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -82.39 -19.29 39.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -118.37 168.99 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 51' ' ' MET . 22.5 t -73.97 120.73 82.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 11.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.441 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.1 mtm -119.68 -60.73 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -100.04 -14.13 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.2 mmt180 62.77 49.92 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -101.27 126.49 48.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.51 108.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.8 99.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 10.3 pt20 -85.85 -35.08 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 5.3 pt-20 -145.77 146.42 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m -148.44 150.22 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.6 p90 -153.84 153.54 32.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.62 129.95 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.401 HD22 ' CG1' ' A' ' 29' ' ' VAL . 34.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.449 ' SG ' ' CG2' ' A' ' 20' ' ' VAL . 22.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.819 0.343 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -120.71 -38.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.449 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 16.9 m -59.51 -33.25 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.439 ' N ' HG23 ' A' ' 20' ' ' VAL . 15.0 p -127.51 -26.37 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 44.5 39.04 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -122.84 -40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.46 164.18 13.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t -81.31 131.11 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 36' ' ' THR . 30.1 m -82.62 126.31 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -131.49 32.47 4.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.6 m95 -147.23 117.76 7.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 m -87.7 143.33 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 39.7 mt -102.54 79.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 19.7 mt -63.2 158.46 55.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 34' ' ' ARG . 54.0 Cg_endo -69.67 -48.17 0.28 Allowed 'Cis proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.383 -0.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.514 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.19 -41.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' PRO . 32.5 ttt180 69.11 52.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -102.6 103.63 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -77.82 46.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.6 p -92.77 39.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' HB3' ' N ' ' A' ' 43' ' ' VAL . 99.4 mt -156.6 120.76 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.38 165.48 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 4.9 p-10 -41.03 -29.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.53 -44.29 2.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.4 m -58.85 -28.47 66.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.872 0.367 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.446 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 6.2 p -50.61 -34.1 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -94.95 -17.27 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -59.34 -42.7 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.6 OUTLIER -125.05 97.62 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.837 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -45.97 -23.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -110.95 162.95 14.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.7 t -73.29 118.24 67.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 8.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.408 ' H ' ' C ' ' A' ' 49' ' ' CYS . 25.2 mtm -117.64 -60.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.39 -18.3 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmt180 66.02 46.19 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -103.91 127.71 51.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -49.72 111.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.6 t -68.77 104.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -88.77 -39.12 14.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -139.76 141.36 36.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -145.41 133.2 21.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.8 p90 -134.4 161.52 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.65 116.54 28.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -120.29 174.68 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 p -92.01 -57.47 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.61 40.67 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -94.84 92.93 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.364 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -97.82 42.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.62 89.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 32.0 m -113.73 100.92 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -139.62 149.32 59.37 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.692 0.758 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 169.49 18.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 m -48.16 -52.06 22.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -143.14 119.15 10.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -108.6 43.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -154.45 117.09 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.5 t -173.53 133.4 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt 40.37 43.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -111.52 169.44 8.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 53.2 t -65.81 129.83 41.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 m -93.88 22.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.565 HG22 ' CE1' ' A' ' 46' ' ' PHE . 88.1 t -118.81 -52.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.59 -15.21 11.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 39.28 37.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -119.3 -35.62 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.17 161.53 12.65 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.3 t -84.02 123.23 29.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 38' ' ' LEU . 5.1 m -68.28 122.13 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -129.68 39.84 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 75.7 m95 -150.25 133.83 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 60' ' ' PHE . 33.5 m -98.2 141.77 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 36.8 mt -101.97 79.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.0 mt -61.63 157.28 48.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.952 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.67 -47.75 0.3 Allowed 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.344 -0.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.86 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttp85 67.16 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -101.37 128.85 47.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 69.2 p -100.6 80.31 2.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.4 m -131.36 27.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' N ' HG13 ' A' ' 26' ' ' VAL . 65.2 mt -145.94 112.28 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 41' ' ' GLY . 34.6 m -53.84 162.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.1 m-20 -42.78 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 39' ' ' CYS . . . -100.72 -46.08 1.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 m -61.13 -15.53 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.97 -32.33 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -91.29 -20.94 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -56.83 -44.74 82.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.565 ' CE1' HG22 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -120.62 114.79 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -61.53 -19.55 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.56 176.65 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' MET . 16.8 t -84.34 124.98 73.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 9.03 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' CYS . 8.3 mtm -122.14 -61.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.28 -16.62 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 44.9 mmm-85 58.23 50.46 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -104.84 126.84 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -43.71 110.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.31 106.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -92.37 -33.38 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.453 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 3.1 pt-20 -144.35 147.66 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -147.88 133.61 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.441 ' CE2' HG21 ' A' ' 29' ' ' VAL . 8.6 p90 -137.91 150.51 47.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.72 132.7 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.432 HD22 ' CG1' ' A' ' 29' ' ' VAL . 8.5 mt -53.08 -62.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t 41.25 47.4 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.85 -168.11 13.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.72 3.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 m -95.07 97.5 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 t -157.73 158.87 36.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.495 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 3' ' ' SER . 32.2 t -154.31 136.62 14.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' SER . 58.8 m -35.1 115.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.13 110.69 1.11 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -126.75 109.64 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.91 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -147.46 156.87 43.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.23 170.21 13.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -88.32 80.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.78 146.93 97.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -172.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.0 m -121.6 77.3 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -125.27 40.69 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -70.21 129.17 38.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.2 m120 41.8 41.59 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -41.16 135.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -69.32 -41.61 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -50.32 176.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.14 120.72 10.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -88.59 16.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.4 t -110.68 -40.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.22 -16.82 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 44.2 40.12 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.3 -46.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.48 30.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.9 m -97.69 110.36 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.151 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.422 HG11 ' C ' ' A' ' 38' ' ' LEU . 7.0 m -57.13 113.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -123.44 37.08 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 79.9 m95 -145.72 133.48 21.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.433 ' CG1' HD23 ' A' ' 62' ' ' LEU . 18.6 m -100.24 138.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.9 mt -99.28 71.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.1 mt -55.28 156.64 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 110.992 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.8 -44.61 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.359 -0.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -31.53 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' PRO . 12.9 ttp-105 61.89 55.03 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -105.43 112.2 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.6 p -84.15 82.12 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.32 32.22 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' C ' HG11 ' A' ' 26' ' ' VAL . 71.5 mt -155.04 118.27 4.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.71 173.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.472 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 t0 -59.39 -11.61 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.23 -30.7 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.9 m -82.19 -10.98 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 44' ' ' LYS . 8.5 p -64.08 -30.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' N ' HG11 ' A' ' 43' ' ' VAL . 24.2 pttt -90.74 -17.05 27.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.66 -37.44 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -128.9 94.31 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.934 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -20.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -112.35 164.61 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 51' ' ' MET . 16.6 t -76.36 119.83 79.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 9.67 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.423 ' H ' ' C ' ' A' ' 49' ' ' CYS . 20.3 mtm -119.15 -56.57 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -100.97 -14.28 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.3 mmt85 59.72 47.7 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -104.49 130.62 52.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.05 108.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.7 t -67.66 101.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.8 pt20 -85.74 -39.71 16.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 4.0 pt-20 -139.51 140.94 37.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -140.96 122.36 14.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -124.39 150.68 45.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.15 136.62 35.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 HD23 ' CG1' ' A' ' 29' ' ' VAL . 18.6 mt -60.49 -45.2 94.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -121.74 158.35 28.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.04 169.32 34.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.06 3.84 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.395 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.6 p -70.47 152.17 44.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.6 t -79.88 155.1 27.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.505 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -87.39 132.44 33.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.828 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -138.38 136.98 36.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.26 121.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -136.49 151.19 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -71.22 102.74 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.21 -153.13 5.84 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -150.09 131.95 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.56 150.93 34.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -176.53 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -55.86 -53.71 53.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.54 147.13 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -63.97 171.15 3.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -152.08 133.62 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.0 m -61.38 103.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -103.96 -44.25 5.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 15.7 m-20 -140.96 174.49 10.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.831 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t -65.44 129.24 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 m -93.51 21.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.1 t -119.88 -46.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.1 p -124.37 -6.87 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 29.73 46.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -125.62 -38.14 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.64 175.55 21.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.1 m -97.99 113.0 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.425 HG11 ' C ' ' A' ' 38' ' ' LEU . 9.4 m -61.17 113.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -123.25 32.74 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.507 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.7 m95 -141.77 135.61 29.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.6 m -101.64 143.48 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 54.4 mt -103.68 71.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.7 mt -54.61 157.96 4.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.8 Cg_endo -69.85 -45.79 0.4 Allowed 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.279 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.1 p -28.74 -40.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 19.2 ttp-105 65.09 54.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -107.75 119.57 39.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.411 HG21 ' CD1' ' A' ' 62' ' ' LEU . 37.5 p -90.88 81.23 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.05 29.41 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD22 ' CB ' ' A' ' 42' ' ' CYS . 32.1 mt -149.89 119.65 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 m -58.46 169.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.507 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.1 t70 -49.26 -19.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 -53.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' CB ' HD22 ' A' ' 38' ' ' LEU . 15.3 m -55.22 -17.09 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.0 p -62.68 -34.03 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -91.77 -15.0 28.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.71 -40.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.49 134.32 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -83.72 32.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -158.77 171.78 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.424 ' C ' ' H ' ' A' ' 51' ' ' MET . 11.9 t -84.52 119.81 73.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 9.73 0.56 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.424 ' H ' ' C ' ' A' ' 49' ' ' CYS . 8.4 mtm -118.16 -62.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.8 p -96.77 -16.43 20.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.1 mmt85 63.49 45.9 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -101.33 129.16 47.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -47.01 115.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.7 t -73.55 107.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -89.17 -36.97 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.472 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 3.6 pt-20 -144.21 148.5 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -147.17 136.08 22.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.9 p90 -141.41 155.44 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.69 130.59 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.411 ' CD1' HG21 ' A' ' 36' ' ' THR . 14.6 mt -52.98 -53.6 47.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -72.48 -45.85 57.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.48 -173.78 16.67 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 97.24 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.228 . . . . 0.0 112.338 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -85.44 -43.77 13.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.4 p -74.17 119.81 18.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.525 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -129.36 144.4 51.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -92.8 -55.56 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.35 166.55 13.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -112.57 84.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 m -94.77 89.74 5.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.95 79.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.2 m -115.58 77.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.164 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -145.44 152.38 49.66 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 166.96 25.8 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -78.4 49.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -154.82 124.31 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -114.46 109.7 18.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.66 107.48 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.5 p -40.9 119.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -123.39 -38.93 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -106.21 177.0 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.4 t -64.98 130.63 44.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.4 m -94.58 27.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.59 -54.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.59 -17.82 13.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 40.96 36.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.68 -32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.84 -158.45 29.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.5 m -130.63 100.73 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 2.8 m -41.73 119.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 30.9 t30 -133.39 36.21 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.569 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 67.9 m95 -153.44 128.9 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.5 m -94.97 135.93 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 48.7 mt -94.94 69.59 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.492 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 5.3 mt -53.61 158.51 3.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.5 Cg_endo -69.69 -45.74 0.4 Allowed 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.435 -0.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.4 p -28.5 -41.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.3 ttp-105 66.5 53.28 0.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.8 m170 -107.08 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.41 71.86 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 9.3 p -117.29 33.85 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 74.5 mt -156.61 116.96 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -58.01 168.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.569 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.7 p-10 -44.45 -27.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.08 -51.71 1.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.0 m -54.83 -16.53 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.2 p -60.03 -37.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -88.65 -19.61 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -56.52 -44.35 80.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -123.85 103.26 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -52.96 -20.58 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.47 162.87 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' MET . 12.4 t -72.37 119.55 75.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 9.35 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.775 2.317 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' CYS . 31.7 mtp -119.01 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -95.12 -18.72 20.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.0 mmm180 65.19 51.72 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -109.3 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -42.7 110.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -68.86 101.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.28 -37.76 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -143.23 145.45 32.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -147.8 122.62 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.8 p90 -127.3 149.76 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.08 133.36 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.82 -47.73 79.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t -77.41 161.49 27.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.1 -129.83 9.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.439 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 153.73 68.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.638 2.225 . . . . 0.0 112.39 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 t -108.37 -47.2 3.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.5 p -129.79 159.84 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.49 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -95.64 105.03 16.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.347 . . . . 0.0 110.946 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -46.74 172.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.88 -109.54 1.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -89.76 -50.58 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m 38.26 38.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.96 116.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.556 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.6 m -123.38 109.73 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.312 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -148.57 151.35 35.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.61 68.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -79.3 49.76 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -60.47 156.84 15.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.66 122.71 30.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -115.72 52.98 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -89.93 28.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.8 71.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -168.6 149.64 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' SG ' ' CG2' ' A' ' 20' ' ' VAL . 12.1 t -55.93 161.93 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.0 m -120.92 -38.4 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.477 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.8 m -61.22 -35.8 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' N ' HG21 ' A' ' 20' ' ' VAL . 17.1 p -123.76 -22.79 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 40.63 36.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -119.3 -40.93 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.08 163.69 13.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.421 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -79.75 138.02 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 38' ' ' LEU . 7.5 m -87.35 123.19 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -126.71 34.76 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -147.02 148.54 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' HD21 ' A' ' 62' ' ' LEU . 32.8 m -113.35 145.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 46.8 mt -105.89 72.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.3 mt -60.42 157.09 37.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.1 Cg_endo -69.75 -45.44 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.309 -0.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -40.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' PRO . 33.2 ttp180 62.32 54.95 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -104.57 108.38 19.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.4 p -80.17 81.92 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.0 p -132.84 34.3 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' N ' HG12 ' A' ' 26' ' ' VAL . 62.6 mt -151.51 118.13 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 m -59.72 174.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -59.64 -11.71 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.73 -23.07 5.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.76 -16.04 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.75 -31.44 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -3.85 50.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -77.21 -31.68 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.477 ' CE2' HG12 ' A' ' 20' ' ' VAL . 2.3 m-85 -131.45 126.38 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.29 0.94 17.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -135.19 175.94 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' C ' ' H ' ' A' ' 51' ' ' MET . 11.5 t -85.92 118.91 71.36 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 10.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.722 2.281 . . . . 0.0 112.381 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.428 ' H ' ' C ' ' A' ' 49' ' ' CYS . 31.3 mtm -119.71 -54.31 2.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 p -106.26 -12.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.6 mmm180 59.21 48.05 10.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -99.6 127.82 45.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -49.42 109.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.32 103.44 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.412 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 4.2 pt20 -88.65 -32.03 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 5.5 pt-20 -147.38 142.06 26.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -142.31 123.86 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.504 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.7 p90 -129.54 143.64 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.26 127.81 33.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.467 HD21 ' CG1' ' A' ' 29' ' ' VAL . 15.5 mt -47.82 -45.07 29.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 t -49.13 -48.27 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.61 127.83 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.529 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -32.31 19.12 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.7 t -55.94 -62.84 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -150.99 121.07 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 p -157.26 123.66 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 p -139.43 137.83 35.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.06 52.77 0.45 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.438 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -104.46 135.53 45.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -161.1 143.78 12.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.0 -165.64 12.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 t 42.89 41.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 111.092 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.72 146.11 91.03 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.636 0.732 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 172.31 12.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' GLU . 61.3 p -42.94 -53.07 4.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -35.75 127.33 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -133.65 39.94 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 m120 67.18 43.46 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -124.54 -46.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.92 40.52 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -118.19 165.46 13.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.55 148.84 46.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 m -106.03 -32.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.18 -52.63 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -106.78 -37.87 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 61.44 45.94 8.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -133.96 -41.2 0.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.16 174.19 27.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.4 m -95.65 115.15 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.305 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 m -63.44 113.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -119.9 32.66 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.46 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 87.7 m95 -142.19 138.19 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 HG11 ' CG2' ' A' ' 36' ' ' THR . 20.4 m -105.18 139.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 52.2 mt -99.99 72.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -61.34 156.99 47.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.3 Cg_endo -69.71 -44.49 0.5 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.354 -0.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.498 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.72 -41.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' PRO . 13.8 ttp180 62.71 54.91 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -107.04 108.75 20.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.46 ' CG2' HG11 ' A' ' 29' ' ' VAL . 17.4 p -80.9 79.47 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 p -127.48 33.4 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD22 ' CD1' ' A' ' 46' ' ' PHE . 97.1 mt -154.49 119.3 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 m -62.56 172.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -51.69 -16.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.66 -39.19 1.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 m -69.5 -18.01 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.0 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -87.72 -15.53 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.2 m-85 -63.0 -36.65 84.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -131.48 114.24 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.36 -14.03 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -122.11 161.05 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.423 ' C ' ' H ' ' A' ' 51' ' ' MET . 19.6 t -73.64 118.37 68.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.63 9.56 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.748 2.298 . . . . 0.0 112.417 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.423 ' H ' ' C ' ' A' ' 49' ' ' CYS . 41.1 mtm -117.12 -61.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -96.84 -15.04 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.9 mmm180 62.43 46.51 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -101.59 130.43 47.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -52.96 110.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.43 95.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.452 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 6.2 pt20 -85.8 -27.89 24.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.452 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.7 pt-20 -151.54 142.77 23.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -148.37 122.83 9.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.471 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.2 p90 -122.8 158.73 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.71 34.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.81 -56.4 17.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 p -85.87 138.93 31.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.98 -137.24 4.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.81 8.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.318 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 t -55.63 -61.2 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -130.87 100.79 5.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.539 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -105.01 113.21 26.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 p -90.26 123.19 33.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.01 -103.38 2.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -122.34 104.92 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -66.22 -49.43 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.35 89.09 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -115.78 112.39 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -154.61 149.63 20.43 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.591 0.71 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 153.88 68.39 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -80.33 70.67 7.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -124.98 133.76 52.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -144.04 120.41 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -53.18 101.99 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.6 t -116.84 -49.49 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -101.32 47.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.03 139.95 48.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -67.17 129.51 40.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 m -93.08 16.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.456 HG22 ' CE1' ' A' ' 46' ' ' PHE . 88.9 t -110.93 -62.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.61 -30.92 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 60.28 42.5 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -128.92 -42.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.17 163.59 15.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.556 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -88.75 120.24 29.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.107 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 38' ' ' LEU . 9.3 m -63.08 125.85 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -134.94 41.25 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.439 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 79.0 m95 -150.24 130.29 13.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.444 HG12 ' CG2' ' A' ' 36' ' ' THR . 25.8 m -94.67 128.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 83.6 mt -86.92 71.91 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 14.6 mt -56.34 156.8 10.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.69 -46.07 0.38 Allowed 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.389 -0.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.03 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.8 ttt180 69.5 53.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -105.64 124.84 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.444 ' CG2' HG12 ' A' ' 29' ' ' VAL . 39.1 p -96.34 81.41 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.9 m -132.43 36.32 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' N ' HG12 ' A' ' 26' ' ' VAL . 81.2 mt -155.81 109.47 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.007 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.6 m -47.72 167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.439 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.0 p30 -46.52 -20.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.71 -48.03 1.13 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.3 m -57.44 -15.89 8.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.399 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 44' ' ' LYS . 7.2 p -61.9 -37.26 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 43' ' ' VAL . 10.5 pttm -87.93 -16.8 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.93 -43.17 99.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.456 ' CE1' HG22 ' A' ' 20' ' ' VAL . 2.7 m-85 -120.05 95.45 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -45.32 -22.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -112.25 173.36 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 33.8 t -82.67 122.41 78.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.605 0.717 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 7.3 1.03 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.749 2.3 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.404 ' H ' ' C ' ' A' ' 49' ' ' CYS . 17.1 mtm -116.02 -61.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.5 p -97.47 -20.04 18.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 12.1 mmm180 62.95 51.35 2.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' PHE . 10.4 tt0 -108.07 120.4 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.1 t80 -34.92 112.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.6 t -73.54 100.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.174 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.464 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 2.5 pt20 -78.02 -34.5 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 12.9 pt-20 -152.17 155.82 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -149.54 124.99 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.523 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 3.3 p90 -129.33 150.55 50.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.12 125.2 28.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.0 mt -40.45 -52.07 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.1 t -65.64 -51.17 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.89 -166.52 12.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -178.94 2.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.304 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.6 p -67.74 176.87 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.8 m -137.99 124.36 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.538 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -128.19 168.41 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.364 . . . . 0.0 110.864 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -121.4 163.3 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.4 137.77 13.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -98.05 111.04 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -68.53 119.26 12.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.92 49.98 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 m -112.4 113.81 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 111.187 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -133.91 153.07 79.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 162.29 42.64 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -85.62 62.92 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -127.22 90.71 3.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -100.85 141.27 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -92.41 79.68 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.7 m -122.14 -56.52 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? 40.35 43.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -118.18 169.53 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 t -55.75 167.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.27 -37.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.482 HG11 ' CZ ' ' A' ' 46' ' ' PHE . 16.0 m -61.0 -35.21 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' N ' HG21 ' A' ' 20' ' ' VAL . 17.8 p -119.83 -39.36 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 61.34 44.94 9.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.03 -43.12 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.92 168.23 19.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.5 m -87.61 131.81 34.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 38' ' ' LEU . 4.2 m -77.96 118.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -124.91 39.47 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.512 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 73.8 m95 -150.49 135.76 17.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' A' ' 36' ' ' THR . 27.5 m -98.82 137.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 27.7 mt -99.28 70.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 13.5 mt -59.48 157.29 26.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.83 -46.25 0.37 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -41.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.4 ttp180 64.43 55.06 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -108.42 107.98 18.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.453 ' CG2' HG11 ' A' ' 29' ' ' VAL . 47.0 p -78.77 83.04 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.2 m -132.68 34.4 3.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 46' ' ' PHE . 55.9 mt -152.04 111.66 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.02 171.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -49.19 -29.06 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.83 -44.92 2.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.9 m -58.44 -16.79 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.3 p -59.81 -33.02 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -93.34 -17.37 23.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CD1' HD22 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -125.89 93.16 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -44.18 -25.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -110.91 169.36 8.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 51' ' ' MET . 41.1 t -78.19 120.43 81.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 9.5 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.417 ' H ' ' C ' ' A' ' 49' ' ' CYS . 11.9 mtm -116.82 -60.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -97.65 -18.38 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 64.14 48.89 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' NE2' ' HG2' ' A' ' 32' ' ' PRO . 5.4 tt0 -105.82 119.51 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -39.36 115.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.65 106.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -89.45 -37.83 14.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.4 pt-20 -141.63 137.95 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.7 p -139.49 122.06 16.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.6 p90 -128.32 151.09 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.01 128.74 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.1 mt -43.8 -55.66 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.6 m -103.87 -48.39 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.94 -131.91 4.81 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.27 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.744 2.296 . . . . 0.0 112.3 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.5 p -148.52 152.22 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -58.83 100.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.49 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -67.53 -57.67 6.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.904 0.383 . . . . 0.0 110.907 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -127.72 157.98 38.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.63 82.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.453 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -143.4 125.77 15.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -103.89 175.96 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.23 -77.25 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.387 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.59 118.13 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.07 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.1 138.69 0.83 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -177.72 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -132.44 39.69 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -74.09 96.76 2.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -103.36 167.12 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -114.75 81.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -104.47 -49.19 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -106.31 67.45 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -148.41 166.69 27.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.427 ' SG ' ' CG2' ' A' ' 20' ' ' VAL . 11.1 t -72.01 167.44 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.0 -33.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.566 HG13 ' CE1' ' A' ' 46' ' ' PHE . 16.7 m -63.14 -33.19 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.437 ' N ' HG22 ' A' ' 20' ' ' VAL . 30.6 p -118.87 -34.69 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 58.79 33.46 23.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -125.97 -44.34 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.76 176.08 27.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -95.91 148.37 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 m -91.11 123.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 42.6 t30 -132.14 39.29 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 27' ' ' ASN . 80.1 m95 -156.95 115.27 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 ' CG1' HD21 ' A' ' 62' ' ' LEU . 16.6 m -82.31 136.29 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 78.1 mt -96.36 80.49 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.5 mt -65.79 158.37 75.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.5 Cg_endo -69.77 -47.86 0.29 Allowed 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.294 -0.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.61 -43.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttt-85 68.79 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -106.92 99.74 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.3 63.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.0 39.5 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 46' ' ' PHE . 96.6 mt -156.38 118.1 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.42 172.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.499 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.9 p-10 -49.04 -29.28 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.3 -47.24 2.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.17 -26.11 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.23 -33.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -94.21 -18.85 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.408 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 4.9 m-85 -59.12 -43.76 91.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.566 ' CE1' HG13 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -124.72 91.2 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.64 -23.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -113.7 151.03 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' C ' ' H ' ' A' ' 51' ' ' MET . 11.6 t -60.72 118.56 35.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 9.9 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.259 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.421 ' H ' ' C ' ' A' ' 49' ' ' CYS . 20.3 mtm -118.93 -63.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.4 p -93.32 -17.64 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmt85 65.21 47.55 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -104.4 127.99 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -49.84 112.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.23 99.35 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.514 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 12.8 pt20 -87.44 -34.37 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' OE2' ' NE2' ' A' ' 57' ' ' GLN . 7.5 pt-20 -145.38 143.8 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -148.91 140.11 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 5.4 p90 -139.88 152.33 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.66 127.52 32.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.47 HD21 ' CG1' ' A' ' 29' ' ' VAL . 20.5 mt -44.65 -56.67 4.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.6 m -81.33 -52.22 7.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.77 161.74 12.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.61 31.03 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.36 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.7 p -75.17 156.11 36.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.777 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.7 m -100.77 81.62 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.793 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.495 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -135.64 175.61 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -87.68 113.86 23.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.05 -84.49 1.78 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -67.52 144.54 55.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.407 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -122.71 141.6 51.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.16 -151.13 28.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.14 113.46 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -143.03 149.32 48.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.725 0.774 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -174.58 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.3 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -78.63 -43.4 26.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -64.75 158.19 25.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.05 140.12 32.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -54.7 163.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.78 26.32 10.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -93.25 -45.62 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.16 173.46 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -55.49 129.04 37.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.37 28.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.426 HG21 ' CZ ' ' A' ' 46' ' ' PHE . 77.0 t -125.1 -47.71 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -116.03 -31.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 57.34 43.29 23.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -132.43 -33.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.49 157.52 14.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -83.67 121.91 27.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.433 HG13 ' C ' ' A' ' 38' ' ' LEU . 1.6 m -62.57 111.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -120.83 35.63 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.47 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 65.4 m95 -146.89 135.93 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.475 HG11 ' CG2' ' A' ' 36' ' ' THR . 28.5 m -101.9 139.51 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 72.3 mt -98.96 76.15 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 6.2 mt -60.12 157.2 33.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.9 Cg_endo -69.85 -45.21 0.44 Allowed 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.325 -0.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.513 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.87 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 32' ' ' PRO . 34.8 ttt180 65.61 54.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -107.24 124.89 50.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.475 ' CG2' HG11 ' A' ' 29' ' ' VAL . 16.6 p -92.1 85.37 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.3 p -133.43 30.49 3.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' C ' HG13 ' A' ' 26' ' ' VAL . 87.0 mt -153.9 114.38 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -53.96 173.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.1 p-10 -53.82 -17.46 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.77 -42.95 1.49 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.54 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 m -64.62 -17.93 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -59.51 -31.63 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.47 -22.97 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.99 -42.67 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.426 ' CZ ' HG21 ' A' ' 20' ' ' VAL . 2.5 m-85 -118.17 122.7 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.43 -20.6 62.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -118.68 174.66 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -81.43 120.78 79.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.699 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 8.5 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.758 2.306 . . . . 0.0 112.37 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.414 ' H ' ' C ' ' A' ' 49' ' ' CYS . 42.6 mtm -118.31 -59.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -97.29 -16.43 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.4 mmt85 61.27 48.65 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -105.24 124.58 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -42.87 117.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.7 t -78.41 100.6 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.466 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 14.6 pt20 -86.17 -31.72 21.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.6 pt-20 -147.47 146.09 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -147.78 125.16 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.483 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.8 p90 -128.55 145.19 51.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.59 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.11 -45.65 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -117.71 95.57 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' ' HD2' ' A' ' 65' ' ' PRO . . . -127.33 -131.82 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.6 Cg_endo -69.76 -21.64 33.22 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.262 . . . . 0.0 112.419 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' PRO . 64.6 m -36.23 -52.08 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.2 p -138.23 171.68 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.07 -0.85 . . . . 0.0 112.497 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -152.93 126.19 8.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -75.13 151.19 38.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.24 67.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.534 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -97.22 90.26 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -76.42 -57.32 3.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.53 -109.32 3.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.85 114.95 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.31 152.43 23.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 167.33 24.7 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.719 2.279 . . . . 0.0 112.306 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -96.25 48.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -102.72 105.51 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -158.83 123.19 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.438 ' ND2' ' OE1' ' A' ' 22' ' ' GLN . 29.4 t-20 51.08 44.5 28.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -128.61 -50.37 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -43.48 -51.71 6.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.5 176.43 9.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.5 t -66.43 140.09 58.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.41 31.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -126.4 -47.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -117.07 -31.0 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' OE1' ' ND2' ' A' ' 14' ' ' ASN . 34.9 mt-30 58.89 42.28 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.94 -33.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.69 153.91 17.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m -78.7 126.11 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -65.51 110.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.441 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 50.2 t30 -120.61 41.45 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 66.4 m95 -152.05 148.06 27.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.1 m -113.88 144.83 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.425 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 74.1 mt -108.24 74.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.2 mt -63.09 157.63 60.79 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' ARG . 54.0 Cg_endo -69.81 -46.03 0.39 Allowed 'Cis proline' 0 C--O 1.231 0.134 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.325 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -30.39 -38.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' PRO . 11.3 ttm180 56.85 54.98 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -103.52 103.27 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -70.16 83.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -134.74 38.62 3.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.5 mt -159.34 128.86 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 m -68.96 179.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.565 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.34 -26.23 51.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 -42.64 2.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.56 -30.78 70.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 44' ' ' LYS . 7.2 p -55.26 -33.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' N ' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -93.76 -17.55 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -58.6 -37.56 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -128.22 132.11 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -83.18 20.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -151.75 156.46 40.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 29.3 t -68.66 122.93 86.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 7.8 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.408 ' H ' ' C ' ' A' ' 49' ' ' CYS . 40.2 mtm -120.41 -65.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -89.03 -20.06 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 41.6 mmm-85 62.97 44.36 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -96.83 126.58 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -45.91 106.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.84 108.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -90.74 -41.18 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -139.75 145.21 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.7 m -146.95 140.73 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.486 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.9 p90 -142.68 158.45 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.86 127.7 34.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.9 mt -48.94 -64.05 0.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.1 t -115.22 124.84 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.85 125.45 1.59 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 94.76 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.5 p -93.18 81.85 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.4 p -66.27 -30.25 70.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.402 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -116.79 148.17 41.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -149.63 169.32 21.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.74 43.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -91.75 155.79 18.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -79.72 153.07 29.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.52 -114.35 3.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.16 73.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -128.68 150.76 75.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 170.41 16.72 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' GLU . 39.6 m -98.44 48.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' SER . 1.2 tp10 34.19 38.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' SER . 43.7 mt-10 -47.68 132.1 14.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -168.56 175.42 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.9 p -87.54 -59.01 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 9.5 ptpp? -48.65 -31.83 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -82.34 167.47 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.2 t -55.09 167.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.14 -36.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 46' ' ' PHE . 29.3 m -62.39 -31.98 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.45 ' N ' HG21 ' A' ' 20' ' ' VAL . 19.7 p -124.34 -43.87 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 63.61 39.86 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -128.42 -35.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.66 160.59 13.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -80.39 131.83 35.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 16' ' ' LYS . 2.7 m -78.29 121.95 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.473 ' ND2' ' HB2' ' A' ' 61' ' ' ALA . 34.9 t30 -127.76 33.7 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.498 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.9 m95 -144.42 136.59 26.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 36' ' ' THR . 19.0 m -100.95 143.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 40.8 mt -105.54 71.21 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.0 mt -59.81 156.98 31.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.4 Cg_endo -69.81 -44.09 0.55 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.258 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -30.39 -40.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' PRO . 42.6 ttp180 63.21 55.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -106.92 110.76 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.42 ' CG2' HG11 ' A' ' 29' ' ' VAL . 37.6 p -83.64 78.45 9.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 p -130.52 34.29 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.7 mt -153.73 106.61 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.41 168.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 8.4 p-10 -54.25 -19.01 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.18 -17.22 16.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.4 m -93.63 -26.23 17.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.925 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.4 p -58.67 -22.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.179 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -30.47 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.73 -35.22 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.573 ' CE1' HG12 ' A' ' 20' ' ' VAL . 6.9 m-85 -120.6 94.62 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -51.97 -17.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.64 166.95 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' ARG . 18.1 t -80.23 119.57 76.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 0.0 110.98 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 7.36 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mtm -111.11 -53.71 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 17.0 p -106.04 -13.76 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 49' ' ' CYS . 10.6 mmt85 57.8 47.99 14.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -105.09 120.5 41.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -41.69 114.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.52 101.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.401 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 9.0 pt20 -83.59 -32.49 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.1 pt-20 -148.31 143.87 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.7 p -143.68 122.68 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.4 p90 -124.27 151.92 43.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB2' ' ND2' ' A' ' 27' ' ' ASN . . . -84.22 117.95 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ALA . 29.8 mt -33.39 -49.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.2 p -48.87 102.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.78 155.64 21.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 89.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.214 . . . . 0.0 112.373 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' SER . 22.8 t -106.93 167.11 10.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' SER . 12.6 t -36.57 -61.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.499 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 t 63.35 42.91 6.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 m -45.6 110.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.23 143.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -76.77 169.39 18.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 p -112.33 98.06 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.5 -106.63 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.8 p -173.87 147.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -54.68 151.53 14.78 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.586 0.708 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -29.17 24.18 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 0.0 112.407 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 t 69.9 54.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.39 146.03 26.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -122.04 158.62 28.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -146.95 144.37 29.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -99.35 130.49 45.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 42.74 3.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.93 149.33 44.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 t -65.83 164.07 15.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.07 -38.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 21' ' ' CYS . 16.2 m -63.2 -33.85 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' N ' HG23 ' A' ' 20' ' ' VAL . 15.0 p -125.04 -26.85 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 43.15 39.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -125.82 -38.01 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.26 164.59 15.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.1 t -83.94 123.15 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.5 m -73.33 123.04 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -127.32 32.53 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.506 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.6 m95 -145.78 153.27 40.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.53 146.54 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 24.7 mt -105.83 73.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 8.1 mt -61.18 157.88 40.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.595 0.712 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' ARG . 54.1 Cg_endo -69.67 -45.5 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.4 -0.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.6 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' PRO . 7.8 ttm105 59.97 55.06 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -103.63 108.76 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.8 p -78.58 81.42 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.2 p -129.98 28.84 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -150.02 127.6 11.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLY . 55.7 m -71.08 169.71 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.506 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 p-10 -42.32 -24.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -100.98 -55.46 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 17.2 m -47.7 -22.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.68 -36.22 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -92.73 -18.31 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.45 ' CB ' ' CE1' ' A' ' 46' ' ' PHE . 5.2 m-85 -57.78 -39.92 78.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.593 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -131.15 94.04 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -44.37 -21.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' PHE . 30.1 mt-30 -110.86 171.49 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.409 ' C ' ' H ' ' A' ' 51' ' ' MET . 12.8 t -84.36 121.31 75.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.43 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.409 ' H ' ' C ' ' A' ' 49' ' ' CYS . 19.9 mtp -116.82 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -98.56 -19.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.0 mmt180 65.43 43.85 3.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -99.66 130.58 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -52.13 105.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.0 t -63.69 101.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -85.35 -41.35 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -136.22 144.44 44.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 t -146.93 123.9 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.8 p90 -126.21 148.48 49.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 119.24 21.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.2 mt -38.32 -59.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 t -129.18 159.48 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.96 153.44 24.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 119.83 6.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 t -117.09 149.02 41.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.5 t -99.86 99.4 10.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.474 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -121.75 -48.6 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -152.95 162.81 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.98 71.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -111.05 122.58 48.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 t -168.36 135.17 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.32 58.21 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.434 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.9 m -103.18 105.65 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.157 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -151.46 152.49 30.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.734 0.778 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 172.41 12.69 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 t -91.84 52.98 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -151.16 153.71 35.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -103.86 145.66 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -121.62 84.09 2.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 m -125.74 -50.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 44.29 41.78 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -132.48 141.25 48.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.21 147.49 44.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 HG22 ' N ' ' A' ' 20' ' ' VAL . 31.1 m -106.25 -26.87 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.458 HG21 ' CD2' ' A' ' 38' ' ' LEU . 42.3 t -63.0 -56.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -101.82 -36.63 8.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 64.57 42.46 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -134.39 -44.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.65 158.35 20.87 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -81.4 131.39 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -76.73 115.89 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.39 39.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.503 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 67.6 m95 -148.6 140.13 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.459 HG12 ' CG2' ' A' ' 36' ' ' THR . 21.3 m -104.69 139.34 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 25.0 mt -101.73 76.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.512 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.4 mt -61.93 156.16 58.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.4 Cg_endo -69.69 -47.84 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.365 -0.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.501 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -29.5 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.4 ttp180 61.4 54.73 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -104.39 112.53 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.459 ' CG2' HG12 ' A' ' 29' ' ' VAL . 24.1 p -81.29 84.4 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -133.79 35.33 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD2' HG21 ' A' ' 20' ' ' VAL . 32.2 mt -154.24 115.54 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -56.03 165.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.0 p-10 -41.83 -29.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.48 -53.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.8 m -47.66 -22.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.347 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -56.54 -36.7 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -88.38 -18.97 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -59.6 -37.58 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.426 ' CZ ' HG22 ' A' ' 20' ' ' VAL . 1.8 m-85 -126.74 130.86 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.36 16.73 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -156.36 135.03 11.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.8 t -47.32 116.8 4.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.26 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mtm -114.06 -62.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -93.26 -20.97 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.7 mmm-85 64.88 52.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.93 119.92 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.44 110.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.58 105.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.453 ' CD ' ' OE1' ' A' ' 58' ' ' GLU . 14.4 pt20 -90.68 -33.62 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 3.9 pt-20 -145.02 142.1 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.3 p -147.17 129.58 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 6.1 p90 -132.9 148.87 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.03 120.39 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 23.6 mt -45.43 -61.25 1.75 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -124.71 105.65 9.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' ' 66' ' ' SER . . . -179.12 152.98 11.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.5 Cg_endo -69.64 13.94 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.513 ' C ' ' O ' ' A' ' 65' ' ' PRO . 2.9 m -28.87 -62.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.787 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -77.18 -66.02 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.462 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t -173.04 131.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -165.29 170.17 15.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.54 148.61 20.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -65.31 98.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -125.62 43.31 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.23 -39.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.2 m -101.36 106.68 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -92.75 153.26 42.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 178.43 4.56 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.393 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -98.2 45.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -101.54 36.53 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -120.74 163.78 17.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -47.9 146.95 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -98.14 -53.73 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -79.38 44.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -104.2 176.03 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.38 130.89 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 m -96.77 33.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.409 HG13 ' CZ ' ' A' ' 46' ' ' PHE . 77.4 t -126.67 -56.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -105.56 -32.96 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 61.37 44.49 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -132.52 -38.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.53 162.06 12.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -87.29 128.09 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.342 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG12 ' C ' ' A' ' 38' ' ' LEU . 13.9 m -69.32 127.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -131.97 35.28 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.537 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.8 m95 -144.75 138.47 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.466 ' HB ' ' CG ' ' A' ' 34' ' ' ARG . 20.3 m -105.59 130.02 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 80.2 mt -92.46 79.98 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 6.1 mt -64.09 158.31 64.22 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.77 -48.28 0.28 Allowed 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.72 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.8 ttt180 62.4 54.54 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -103.71 107.27 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 p -77.65 86.5 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.9 36.62 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' C ' HG12 ' A' ' 26' ' ' VAL . 56.1 mt -155.76 121.44 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.8 m -61.71 162.25 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.537 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-20 -42.32 -26.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 -49.12 2.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.423 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 m -59.24 -16.58 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.6 p -58.04 -45.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -86.33 -15.59 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.89 -39.09 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.428 ' C ' ' H ' ' A' ' 48' ' ' GLN . 3.5 m-85 -128.79 125.95 38.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -79.64 32.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.428 ' H ' ' C ' ' A' ' 46' ' ' PHE . 26.9 mt-30 -158.61 174.79 14.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 16.6 t -87.18 120.19 71.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.82 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 8.72 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' CYS . 8.3 mtm -119.24 -63.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.0 p -97.23 -16.06 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmm180 62.59 46.04 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.05 127.26 42.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -45.18 112.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.8 t -72.97 107.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -95.3 -34.01 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -143.93 145.32 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.6 m -148.66 128.95 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.3 p90 -131.46 146.54 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.18 122.93 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 mt -36.9 -57.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -57.57 108.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 66' ' ' SER . . . -51.7 -173.07 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 10.4 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.638 2.225 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.444 ' H ' ' C ' ' A' ' 64' ' ' GLY . 20.1 m -85.67 83.25 7.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.1 t -110.58 -46.85 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.41 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -141.36 144.2 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 4' ' ' GLY . 92.0 p -88.67 176.86 6.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.41 119.71 0.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -87.93 97.23 10.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -71.68 133.36 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -162.11 -93.38 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' O ' HG21 ' A' ' 8' ' ' VAL . 11.7 m -60.94 76.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 7' ' ' GLY . 18.2 pt-20 -152.96 139.18 12.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.737 2.291 . . . . 0.0 112.313 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.5 m 66.04 47.01 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.812 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.46 141.73 28.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -106.83 138.44 43.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -131.73 110.81 11.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.1 m -98.74 111.09 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.783 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -113.63 41.86 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -149.85 177.2 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' SG ' ' CG2' ' A' ' 20' ' ' VAL . 14.7 t -59.64 165.1 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.85 -36.75 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.545 HG12 ' CE1' ' A' ' 46' ' ' PHE . 17.0 m -61.68 -33.35 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.45 ' N ' HG23 ' A' ' 20' ' ' VAL . 21.3 p -124.41 -41.92 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 61.92 43.76 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -129.56 -39.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.77 162.44 14.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.6 t -82.81 124.63 30.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 38' ' ' LEU . 7.8 m -73.37 126.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -130.45 30.61 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.435 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 79.9 m95 -142.47 141.88 32.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 HG21 ' CZ ' ' A' ' 60' ' ' PHE . 25.8 m -109.03 137.74 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.437 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 48.4 mt -97.68 76.43 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.4 mt -66.01 157.85 78.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.54 0.685 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -47.02 0.33 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.326 -0.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.33 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' PRO . 58.4 ttp85 64.31 55.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -106.74 99.04 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -70.62 82.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 p -131.11 32.56 4.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' N ' HG13 ' A' ' 26' ' ' VAL . 93.8 mt -152.22 117.39 5.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.15 178.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.435 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.6 -15.17 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.75 -40.16 1.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.4 m -65.43 -14.2 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 44' ' ' LYS . 7.5 p -64.47 -31.66 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.467 ' N ' HG13 ' A' ' 43' ' ' VAL . 6.0 pttm -94.39 -14.04 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.28 -36.11 83.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.545 ' CE1' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -130.51 96.39 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -47.63 -19.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -115.72 168.35 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.3 t -81.78 120.78 78.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 7.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.6 mtp -116.2 -59.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -97.73 -21.26 17.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 65.27 46.38 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -102.98 122.38 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -44.29 107.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.72 104.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -90.02 -32.41 16.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -145.49 144.87 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.7 p -148.06 122.1 9.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 3.3 p90 -122.09 156.72 32.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.0 127.89 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.1 mt -42.18 -47.11 4.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.7 p -103.24 123.67 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.45 118.01 4.29 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -23.2 31.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.5 p -117.2 99.99 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.2 p -59.5 154.11 18.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.495 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -72.04 109.19 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -148.85 146.8 28.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.4 146.28 18.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.526 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -135.69 126.83 28.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -71.16 131.3 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.56 -44.14 97.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.399 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.06 115.96 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 111.174 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -47.17 150.46 1.46 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -17.51 37.68 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.737 2.292 . . . . 0.0 112.373 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 m 68.3 48.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -167.35 125.31 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -125.88 130.16 50.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -78.2 46.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' LYS . 5.6 p -91.51 -58.65 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.794 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' SER . 7.6 ptmt 35.59 41.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -120.44 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' HB3' ' N ' ' A' ' 22' ' ' GLN . 38.4 t -168.46 164.49 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 33.7 m -109.75 -36.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.571 HG11 ' CE1' ' A' ' 46' ' ' PHE . 18.2 m -74.31 -35.19 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' N ' HG23 ' A' ' 20' ' ' VAL . 15.1 p -127.91 -19.13 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.445 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 4.9 pt20 39.36 35.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -118.81 -29.98 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -113.05 166.49 12.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -84.38 129.58 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG11 ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -77.93 112.58 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -124.15 39.51 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 81.1 m95 -152.17 120.98 6.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.476 HG12 ' CG2' ' A' ' 36' ' ' THR . 20.9 m -88.72 139.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.426 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 53.3 mt -100.66 76.37 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -61.11 157.55 41.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.75 -47.01 0.33 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.336 -0.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.515 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -42.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' PRO . 38.8 ttp180 65.67 54.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -107.46 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.476 ' CG2' HG12 ' A' ' 29' ' ' VAL . 11.3 p -85.29 79.76 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.167 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 22.2 p -127.19 33.03 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' C ' HG11 ' A' ' 26' ' ' VAL . 91.8 mt -155.97 115.43 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 57.2 m -53.16 175.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.813 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.567 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.9 p30 -46.98 -32.72 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.25 -54.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.9 m -46.14 -24.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.4 p -56.66 -38.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 pttt -88.98 -16.98 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.435 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.7 m-85 -60.6 -38.26 84.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.571 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -129.75 93.46 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -42.91 -22.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' PHE . 18.4 mt-30 -110.76 170.3 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 17.1 t -84.66 121.22 74.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.63 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 mtp -114.41 -60.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.91 -21.78 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 18.1 mmm180 64.97 51.45 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -110.83 127.54 55.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -45.95 116.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.82 103.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -87.5 -32.53 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 8.5 pt-20 -145.49 148.14 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -148.27 123.87 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.1 p90 -129.53 139.72 51.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.95 133.36 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mt -48.57 -52.73 21.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 t -80.66 49.54 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 47.23 -154.59 1.05 Allowed Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.25 68.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 t -69.96 83.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 m -128.87 172.65 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-O 119.052 -0.86 . . . . 0.0 112.521 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -50.72 142.47 11.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 p -118.41 126.05 51.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.62 101.03 0.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -145.34 147.2 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.351 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p 39.28 43.27 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.94 -178.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 m -68.93 78.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -54.19 152.94 10.22 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.29 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.5 m -86.46 43.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -92.58 28.42 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -146.19 156.98 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -82.2 92.16 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -109.87 28.77 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -91.35 40.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -131.54 154.95 48.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t -72.66 136.95 45.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.2 m -103.64 33.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 HG21 ' CD2' ' A' ' 38' ' ' LEU . 89.0 t -130.54 -47.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.5 -37.07 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 63.95 44.1 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -134.19 -33.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.27 156.83 15.4 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -80.76 136.86 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 38' ' ' LEU . 9.6 m -81.21 121.83 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -129.3 38.23 3.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.1 m95 -145.78 137.12 24.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 HG11 ' CG2' ' A' ' 36' ' ' THR . 33.8 m -101.42 131.82 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 71.5 mt -92.33 71.48 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.0 mt -58.92 158.19 17.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.537 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.8 -46.54 0.36 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.607 -1.83 . . . . 0.0 112.367 -0.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -26.99 -43.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.8 ttp180 67.58 54.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -110.13 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.471 ' CG2' HG11 ' A' ' 29' ' ' VAL . 14.3 p -81.34 84.43 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 p -133.79 37.48 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' N ' HG11 ' A' ' 26' ' ' VAL . 44.5 mt -158.22 117.37 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -56.08 166.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.563 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 5.2 t70 -42.95 -33.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.33 -48.99 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -53.66 -22.25 8.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' CG1' ' O ' ' A' ' 40' ' ' ASP . 10.1 p -57.51 -34.56 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -90.07 -21.28 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -55.83 -41.9 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -120.97 129.37 53.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -87.45 16.61 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -156.17 133.43 10.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -45.97 116.94 3.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 7.93 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.63 2.22 . . . . 0.0 112.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.405 ' H ' ' C ' ' A' ' 49' ' ' CYS . 30.6 mtm -116.3 -64.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.976 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.88 -19.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmm180 66.54 43.82 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -97.43 126.74 42.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -48.47 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.21 106.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -96.23 -33.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HG3' ' HB2' ' A' ' 31' ' ' LEU . 7.7 pt-20 -144.44 147.12 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.7 p -148.79 124.29 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.5 p90 -123.98 147.66 47.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.23 129.24 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 mt -47.91 -63.69 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t 51.1 43.28 29.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 66' ' ' SER . . . -62.76 178.59 5.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.456 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 9.45 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.72 2.28 . . . . 0.0 112.289 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 64' ' ' GLY . 2.5 t -105.17 114.8 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.7 m -39.27 125.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.523 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 p -174.89 169.39 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -170.33 173.09 5.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -160.51 -137.71 2.27 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.528 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.1 m -36.15 113.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -94.45 41.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.13 160.82 9.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t -143.71 129.55 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.359 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -44.09 152.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -177.57 1.94 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.757 2.305 . . . . 0.0 112.322 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -104.02 42.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -137.76 124.19 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -54.42 140.13 34.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -115.72 116.64 28.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -121.8 26.11 8.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -127.51 43.56 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -169.04 159.32 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.464 ' HA ' ' CG1' ' A' ' 26' ' ' VAL . 13.4 t -65.31 166.37 10.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG21 ' N ' ' A' ' 20' ' ' VAL . 27.3 m -128.16 -31.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.542 HG11 ' CZ ' ' A' ' 46' ' ' PHE . 15.4 m -67.8 -34.62 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.44 ' N ' HG23 ' A' ' 20' ' ' VAL . 18.2 p -118.99 -38.01 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 56.57 40.54 29.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -132.86 -34.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -159.8 29.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.9 m -120.29 122.63 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.782 0.325 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 18' ' ' CYS . 4.0 m -67.95 119.71 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 42.2 t30 -133.77 41.23 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.5 m95 -155.64 114.32 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 ' HB ' ' CG ' ' A' ' 34' ' ' ARG . 17.1 m -83.72 134.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.436 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 75.2 mt -96.02 81.42 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -65.64 157.12 80.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 0.0 110.931 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.6 Cg_endo -69.7 -47.82 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.764 -1.765 . . . . 0.0 112.303 -0.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.497 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.4 ttt180 62.27 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -104.29 95.95 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.429 HG22 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -70.31 76.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.4 m -122.14 31.48 6.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 46' ' ' PHE . 96.9 mt -149.67 120.89 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.28 165.36 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.558 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 5.6 p-10 -49.27 -20.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -105.7 -22.14 8.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 35.3 m -83.28 -36.79 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.834 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 12.6 p -51.36 -21.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 45' ' ' TYR . 3.2 pttm -93.99 -27.97 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.3 m-85 -64.37 -28.92 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.557 ' CD1' HD23 ' A' ' 38' ' ' LEU . 1.3 m-85 -127.31 130.42 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -82.39 -19.29 39.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -118.37 168.99 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 51' ' ' MET . 22.5 t -73.97 120.73 82.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 11.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.441 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.1 mtm -119.68 -60.73 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -100.04 -14.13 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.2 mmt180 62.77 49.92 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -101.27 126.49 48.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.51 108.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.8 99.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.406 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 10.3 pt20 -85.85 -35.08 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 5.3 pt-20 -145.77 146.42 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m -148.44 150.22 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.528 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.6 p90 -153.84 153.54 32.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.62 129.95 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.401 HD22 ' CG1' ' A' ' 29' ' ' VAL . 34.3 mt -45.06 -42.84 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 t -109.5 141.2 42.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -38.08 123.1 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 2.61 3.39 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.638 2.225 . . . . 0.0 112.333 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.7 p -85.92 134.96 33.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 t -66.52 -47.02 74.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.492 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -49.36 114.87 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -113.3 121.77 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.802 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.06 132.98 7.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.428 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m 56.52 40.28 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -104.21 145.74 29.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.6 -60.86 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 9' ' ' GLU . 11.9 p -174.75 145.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.329 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.495 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 5.5 tt0 -41.28 141.69 1.04 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.495 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.3 Cg_endo -69.76 125.46 12.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.613 2.209 . . . . 0.0 112.285 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 p -78.83 55.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.761 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.79 119.56 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -108.63 161.39 15.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -84.21 42.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.2 p -63.65 -47.78 79.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -108.85 63.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -115.95 173.36 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.449 ' SG ' ' CG2' ' A' ' 20' ' ' VAL . 22.4 t -60.9 162.21 7.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.9 m -120.71 -38.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.449 ' CG2' ' SG ' ' A' ' 18' ' ' CYS . 16.9 m -59.51 -33.25 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.439 ' N ' HG23 ' A' ' 20' ' ' VAL . 15.0 p -127.51 -26.37 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 44.5 39.04 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -122.84 -40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.46 164.18 13.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t -81.31 131.11 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 36' ' ' THR . 30.1 m -82.62 126.31 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -131.49 32.47 4.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.6 m95 -147.23 117.76 7.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 m -87.7 143.33 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.452 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 39.7 mt -102.54 79.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 19.7 mt -63.2 158.46 55.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 34' ' ' ARG . 54.0 Cg_endo -69.67 -48.17 0.28 Allowed 'Cis proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.383 -0.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.514 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.19 -41.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' PRO . 32.5 ttt180 69.11 52.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -102.6 103.63 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -77.82 46.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.6 p -92.77 39.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' HB3' ' N ' ' A' ' 43' ' ' VAL . 99.4 mt -156.6 120.76 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.38 165.48 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 4.9 p-10 -41.03 -29.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.53 -44.29 2.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 9.4 m -58.85 -28.47 66.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.872 0.367 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.446 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 6.2 p -50.61 -34.1 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -94.95 -17.27 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -59.34 -42.7 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.6 OUTLIER -125.05 97.62 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.837 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -45.97 -23.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -110.95 162.95 14.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.7 t -73.29 118.24 67.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 8.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.408 ' H ' ' C ' ' A' ' 49' ' ' CYS . 25.2 mtm -117.64 -60.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.39 -18.3 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmt180 66.02 46.19 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -103.91 127.71 51.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -49.72 111.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.6 t -68.77 104.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -88.77 -39.12 14.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -139.76 141.36 36.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -145.41 133.2 21.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.8 p90 -134.4 161.52 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.65 116.54 28.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.4 mt -40.24 -45.11 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.6 t -83.22 90.76 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.04 -157.36 26.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 93.96 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.281 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -95.25 99.25 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 m -157.1 170.73 21.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.43 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' HB2' HG13 ' A' ' 26' ' ' VAL . 53.2 t . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 m -93.88 22.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.406 HG21 ' CE1' ' A' ' 46' ' ' PHE . 88.1 t -118.81 -52.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.59 -15.21 11.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 39.28 37.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -119.3 -35.62 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.17 161.53 12.65 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 25' ' ' THR . 8.3 t -84.02 123.23 29.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 36' ' ' THR . 5.1 m -68.28 122.13 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -129.68 39.84 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 75.7 m95 -150.25 133.83 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.695 HG21 ' CE2' ' A' ' 60' ' ' PHE . 33.5 m -98.2 141.77 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.8 mt -101.97 79.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.515 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.0 mt -61.63 157.28 48.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.952 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.67 -47.75 0.3 Allowed 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.344 -0.211 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.86 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttp85 67.16 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 52.0 m170 -101.37 128.85 47.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.472 ' CG2' HG12 ' A' ' 29' ' ' VAL . 69.2 p -100.6 80.31 2.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.4 m -131.36 27.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.2 mt -145.94 112.28 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 41' ' ' GLY . 34.6 m -53.84 162.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.1 m-20 -42.78 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 39' ' ' CYS . . . -100.72 -46.08 1.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 m -61.13 -15.53 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.97 -32.33 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -91.29 -20.94 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -56.83 -44.74 82.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.406 ' CE1' HG21 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -120.62 114.79 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -61.53 -19.55 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.56 176.65 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 16.8 t -84.34 124.98 73.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 9.03 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtm -122.14 -61.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.28 -16.62 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 44.9 mmm-85 58.23 50.46 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -104.84 126.84 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -43.71 110.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.31 106.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -92.37 -33.38 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.491 ' HG3' HD13 ' A' ' 31' ' ' LEU . 3.1 pt-20 -144.35 147.66 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -147.88 133.61 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.695 ' CE2' HG21 ' A' ' 29' ' ' VAL . 8.6 p90 -137.91 150.51 47.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.72 132.7 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -88.59 16.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 38' ' ' LEU . 99.4 t -110.68 -40.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.22 -16.82 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 44.2 40.12 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.3 -46.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.48 30.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.9 m -97.69 110.36 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.151 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 36' ' ' THR . 7.0 m -57.13 113.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -123.44 37.08 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.482 ' O ' HG22 ' A' ' 36' ' ' THR . 79.9 m95 -145.72 133.48 21.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.601 HG12 HG23 ' A' ' 36' ' ' THR . 18.6 m -100.24 138.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.672 ' HB3' HG22 ' A' ' 56' ' ' VAL . 12.9 mt -99.28 71.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.1 mt -55.28 156.64 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 110.992 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.8 -44.61 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.359 -0.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -31.53 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' PRO . 12.9 ttp-105 61.89 55.03 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 57.3 m170 -105.43 112.2 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.601 HG23 HG12 ' A' ' 29' ' ' VAL . 23.6 p -84.15 82.12 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.32 32.22 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' C ' HG12 ' A' ' 26' ' ' VAL . 71.5 mt -155.04 118.27 4.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.71 173.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 t0 -59.39 -11.61 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.23 -30.7 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.9 m -82.19 -10.98 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.08 -30.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -90.74 -17.05 27.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.66 -37.44 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -128.9 94.31 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.934 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -20.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -112.35 164.61 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 30' ' ' LEU . 16.6 t -76.36 119.83 79.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 9.67 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.3 mtm -119.15 -56.57 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -100.97 -14.28 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.3 mmt85 59.72 47.7 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -104.49 130.62 52.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.05 108.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.672 HG22 ' HB3' ' A' ' 30' ' ' LEU . 73.7 t -67.66 101.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.8 pt20 -85.74 -39.71 16.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 4.0 pt-20 -139.51 140.94 37.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -140.96 122.36 14.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -124.39 150.68 45.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.15 136.62 35.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.476 HD11 HG21 ' A' ' 36' ' ' THR . 18.6 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.354 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 m -93.51 21.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.1 t -119.88 -46.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.1 p -124.37 -6.87 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.506 ' C ' ' O ' ' A' ' 21' ' ' CYS . 1.2 pp0? 29.73 46.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -125.62 -38.14 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.64 175.55 21.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.1 m -97.99 113.0 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 36' ' ' THR . 9.4 m -61.17 113.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.764 ' HA ' HD12 ' A' ' 62' ' ' LEU . 37.2 t30 -123.25 32.74 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.7 m95 -141.77 135.61 29.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG12 HG23 ' A' ' 36' ' ' THR . 26.6 m -101.64 143.48 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 49' ' ' CYS . 54.4 mt -103.68 71.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD13 ' HG3' ' A' ' 58' ' ' GLU . 9.7 mt -54.61 157.96 4.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.8 Cg_endo -69.85 -45.79 0.4 Allowed 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.279 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.1 p -28.74 -40.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 19.2 ttp-105 65.09 54.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -107.75 119.57 39.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.793 HG21 HD11 ' A' ' 62' ' ' LEU . 37.5 p -90.88 81.23 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.05 29.41 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' HG12 ' A' ' 26' ' ' VAL . 32.1 mt -149.89 119.65 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 m -58.46 169.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.1 t70 -49.26 -19.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 -53.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.3 m -55.22 -17.09 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.0 p -62.68 -34.03 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -91.77 -15.0 28.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.71 -40.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.49 134.32 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -83.72 32.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.537 ' HA ' HG23 ' A' ' 56' ' ' VAL . 24.7 mt-30 -158.77 171.78 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HA ' HD13 ' A' ' 30' ' ' LEU . 11.9 t -84.52 119.81 73.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 9.73 0.56 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.4 mtm -118.16 -62.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.8 p -96.77 -16.43 20.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.1 mmt85 63.49 45.9 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -101.33 129.16 47.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -47.01 115.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 48' ' ' GLN . 93.7 t -73.55 107.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -89.17 -36.97 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HG3' HD13 ' A' ' 31' ' ' LEU . 3.6 pt-20 -144.21 148.5 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -147.17 136.08 22.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.9 p90 -141.41 155.44 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.69 130.59 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.793 HD11 HG21 ' A' ' 36' ' ' THR . 14.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 37' ' ' CYS . 19.4 m -94.58 27.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.59 -54.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.59 -17.82 13.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 40.96 36.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.68 -32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.84 -158.45 29.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.5 m -130.63 100.73 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.912 ' HB ' HG22 ' A' ' 36' ' ' THR . 2.8 m -41.73 119.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 30.9 t30 -133.39 36.21 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 67.9 m95 -153.44 128.9 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.526 HG13 HD21 ' A' ' 62' ' ' LEU . 27.5 m -94.97 135.93 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 56' ' ' VAL . 48.7 mt -94.94 69.59 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 5.3 mt -53.61 158.51 3.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.5 Cg_endo -69.69 -45.74 0.4 Allowed 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.435 -0.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.4 p -28.5 -41.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.3 ttp-105 66.5 53.28 0.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.8 m170 -107.08 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.912 HG22 ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.41 71.86 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB2' HG22 ' A' ' 19' ' ' VAL . 9.3 p -117.29 33.85 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.432 HD12 HD11 ' A' ' 30' ' ' LEU . 74.5 mt -156.61 116.96 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -58.01 168.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.7 p-10 -44.45 -27.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.08 -51.71 1.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.0 m -54.83 -16.53 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 40' ' ' ASP . 14.2 p -60.03 -37.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -88.65 -19.61 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -56.52 -44.35 80.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.459 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -123.85 103.26 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -52.96 -20.58 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.47 162.87 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 12.4 t -72.37 119.55 75.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 9.35 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.775 2.317 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.7 mtp -119.01 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -95.12 -18.72 20.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.0 mmm180 65.19 51.72 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -109.3 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -42.7 110.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 30' ' ' LEU . 86.2 t -68.86 101.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.28 -37.76 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HG3' HD13 ' A' ' 31' ' ' LEU . 4.5 pt-20 -143.23 145.45 32.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -147.8 122.62 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.8 p90 -127.3 149.76 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.08 133.36 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 29' ' ' VAL . 19.5 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.586 ' SG ' HG22 ' A' ' 20' ' ' VAL . 12.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.972 0.415 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 37' ' ' CYS . 30.0 m -120.92 -38.4 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.586 HG22 ' SG ' ' A' ' 18' ' ' CYS . 11.8 m -61.22 -35.8 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -123.76 -22.79 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 40.63 36.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -119.3 -40.93 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.08 163.69 13.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.421 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -79.75 138.02 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.413 HG12 ' C ' ' A' ' 38' ' ' LEU . 7.5 m -87.35 123.19 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -126.71 34.76 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' O ' HG22 ' A' ' 36' ' ' THR . 68.5 m95 -147.02 148.54 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.583 HG12 ' CG2' ' A' ' 36' ' ' THR . 32.8 m -113.35 145.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 mt -105.89 72.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.3 mt -60.42 157.09 37.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.1 Cg_endo -69.75 -45.44 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.309 -0.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -40.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' PRO . 33.2 ttp180 62.32 54.95 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 63.2 m170 -104.57 108.38 19.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 28' ' ' TRP . 29.4 p -80.17 81.92 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB2' HG22 ' A' ' 19' ' ' VAL . 6.0 p -132.84 34.3 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' C ' HG12 ' A' ' 26' ' ' VAL . 62.6 mt -151.51 118.13 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 m -59.72 174.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -59.64 -11.71 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.73 -23.07 5.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.76 -16.04 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.75 -31.44 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -3.85 50.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -77.21 -31.68 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CE2' HG11 ' A' ' 20' ' ' VAL . 2.3 m-85 -131.45 126.38 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.29 0.94 17.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -135.19 175.94 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.5 t -85.92 118.91 71.36 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 10.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.722 2.281 . . . . 0.0 112.381 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.3 mtm -119.71 -54.31 2.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 p -106.26 -12.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.6 mmm180 59.21 48.05 10.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -99.6 127.82 45.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -49.42 109.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.32 103.44 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.404 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 13.7 pt20 -88.65 -32.03 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 5.5 pt-20 -147.38 142.06 26.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -142.31 123.86 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.7 p90 -129.54 143.64 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.26 127.81 33.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 36' ' ' THR . 15.5 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.878 0.371 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 m -106.03 -32.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.18 -52.63 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -106.78 -37.87 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 61.44 45.94 8.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -133.96 -41.2 0.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.16 174.19 27.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.4 m -95.65 115.15 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.305 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.4 m -63.44 113.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -119.9 32.66 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.57 ' O ' HG22 ' A' ' 36' ' ' THR . 87.7 m95 -142.19 138.19 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG12 HG23 ' A' ' 36' ' ' THR . 20.4 m -105.18 139.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.2 mt -99.99 72.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -61.34 156.99 47.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.3 Cg_endo -69.71 -44.49 0.5 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.354 -0.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.547 ' SG ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -29.72 -41.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' PRO . 13.8 ttp180 62.71 54.91 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 56.4 m170 -107.04 108.75 20.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 28' ' ' TRP . 17.4 p -80.9 79.47 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 p -127.48 33.4 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt -154.49 119.3 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 m -62.56 172.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -51.69 -16.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.66 -39.19 1.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 m -69.5 -18.01 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.0 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -87.72 -15.53 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.48 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.2 m-85 -63.0 -36.65 84.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -131.48 114.24 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.36 -14.03 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -122.11 161.05 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 19.6 t -73.64 118.37 68.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.63 9.56 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.748 2.298 . . . . 0.0 112.417 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.1 mtm -117.12 -61.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -96.84 -15.04 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.9 mmm180 62.43 46.51 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -101.59 130.43 47.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -52.96 110.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.43 95.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 6.2 pt20 -85.8 -27.89 24.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.7 pt-20 -151.54 142.77 23.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -148.37 122.83 9.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 5.2 p90 -122.8 158.73 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.71 34.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.424 HG22 ' HB3' ' A' ' 37' ' ' CYS . 15.3 m -93.08 16.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 38' ' ' LEU . 88.9 t -110.93 -62.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.61 -30.92 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 60.28 42.5 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -128.92 -42.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.17 163.59 15.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.556 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 25' ' ' THR . 12.9 t -88.75 120.24 29.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.107 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 36' ' ' THR . 9.3 m -63.08 125.85 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -134.94 41.25 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.446 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 79.0 m95 -150.24 130.29 13.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 HG23 ' A' ' 36' ' ' THR . 25.8 m -94.67 128.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 49' ' ' CYS . 83.6 mt -86.92 71.91 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.51 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 14.6 mt -56.34 156.8 10.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.69 -46.07 0.38 Allowed 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.389 -0.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.03 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.8 ttt180 69.5 53.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -105.64 124.84 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.688 HG21 HD11 ' A' ' 62' ' ' LEU . 39.1 p -96.34 81.41 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.424 ' HB3' HG22 ' A' ' 19' ' ' VAL . 22.9 m -132.43 36.32 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 20' ' ' VAL . 81.2 mt -155.81 109.47 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.007 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.6 m -47.72 167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.0 p30 -46.52 -20.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.71 -48.03 1.13 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.3 m -57.44 -15.89 8.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.399 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.9 -37.26 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -87.93 -16.8 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.93 -43.17 99.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -120.05 95.45 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -45.32 -22.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.44 ' HA ' HG23 ' A' ' 56' ' ' VAL . 21.6 mt-30 -112.25 173.36 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HA ' HD13 ' A' ' 30' ' ' LEU . 33.8 t -82.67 122.41 78.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.605 0.717 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 7.3 1.03 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.749 2.3 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.1 mtm -116.02 -61.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.5 p -97.47 -20.04 18.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 12.1 mmm180 62.95 51.35 2.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' PHE . 10.4 tt0 -108.07 120.4 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.1 t80 -34.92 112.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 48' ' ' GLN . 98.6 t -73.54 100.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.467 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 2.5 pt20 -78.02 -34.5 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 12.9 pt-20 -152.17 155.82 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -149.54 124.99 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 3.3 p90 -129.33 150.55 50.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.12 125.2 28.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 36' ' ' THR . 22.0 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.608 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.6 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.981 0.419 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.27 -37.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.71 HG11 ' CE1' ' A' ' 46' ' ' PHE . 16.0 m -61.0 -35.21 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -119.83 -39.36 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 61.34 44.94 9.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.03 -43.12 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.92 168.23 19.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.5 m -87.61 131.81 34.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 36' ' ' THR . 4.2 m -77.96 118.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -124.91 39.47 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 73.8 m95 -150.49 135.76 17.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG21 ' CE2' ' A' ' 60' ' ' PHE . 27.5 m -98.82 137.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 49' ' ' CYS . 27.7 mt -99.28 70.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 13.5 mt -59.48 157.29 26.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.4 Cg_endo -69.83 -46.25 0.37 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -41.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.4 ttp180 64.43 55.06 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.409 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 67.5 m170 -108.42 107.98 18.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 26' ' ' VAL . 47.0 p -78.77 83.04 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' HD23 ' A' ' 38' ' ' LEU . 7.2 m -132.68 34.4 3.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 50' ' ' PRO . 55.9 mt -152.04 111.66 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.02 171.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -49.19 -29.06 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.83 -44.92 2.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HB3' HG21 ' A' ' 20' ' ' VAL . 32.9 m -58.44 -16.79 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 40' ' ' ASP . 13.3 p -59.81 -33.02 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -93.34 -17.37 23.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -125.89 93.16 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -44.18 -25.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.456 ' HA ' HG23 ' A' ' 56' ' ' VAL . 37.1 mt-30 -110.91 169.36 8.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.437 ' HA ' HD13 ' A' ' 30' ' ' LEU . 41.1 t -78.19 120.43 81.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HG3' HD21 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.82 9.5 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.9 mtm -116.82 -60.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -97.65 -18.38 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 64.14 48.89 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -105.82 119.51 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -39.36 115.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' HA ' ' A' ' 48' ' ' GLN . 97.6 t -72.65 106.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -89.45 -37.83 14.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.4 pt-20 -141.63 137.95 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.7 p -139.49 122.06 16.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -128.32 151.09 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.01 128.74 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.728 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.1 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.918 0.389 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.0 -33.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.728 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.7 m -63.14 -33.19 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -118.87 -34.69 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 58.79 33.46 23.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -125.97 -44.34 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.76 176.08 27.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -95.91 148.37 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.839 ' HB ' HG22 ' A' ' 36' ' ' THR . 4.7 m -91.11 123.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 10.9 t-20 -132.14 39.29 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 27' ' ' ASN . 80.1 m95 -156.95 115.27 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 m -82.31 136.29 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.767 HD11 HD12 ' A' ' 38' ' ' LEU . 78.1 mt -96.36 80.49 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 32' ' ' PRO . 9.5 mt -65.79 158.37 75.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.5 Cg_endo -69.77 -47.86 0.29 Allowed 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.294 -0.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.61 -43.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttt-85 68.79 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.431 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 61.7 m170 -106.92 99.74 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.839 HG22 ' HB ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -74.3 63.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.0 39.5 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.767 HD12 HD11 ' A' ' 30' ' ' LEU . 96.6 mt -156.38 118.1 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.42 172.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.507 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.9 p-10 -49.04 -29.28 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.3 -47.24 2.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.17 -26.11 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.23 -33.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -94.21 -18.85 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.432 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 4.9 m-85 -59.12 -43.76 91.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -124.72 91.2 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.64 -23.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -113.7 151.03 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.6 t -60.72 118.56 35.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.1 Cg_endo -69.82 9.9 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.259 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.3 mtm -118.93 -63.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.4 p -93.32 -17.64 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmt85 65.21 47.55 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -104.4 127.99 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -49.84 112.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.23 99.35 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.514 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 12.8 pt20 -87.44 -34.37 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.514 ' OE2' ' NE2' ' A' ' 57' ' ' GLN . 7.5 pt-20 -145.38 143.8 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -148.91 140.11 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.4 p90 -139.88 152.33 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.66 127.52 32.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.37 28.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.446 HG21 ' CE1' ' A' ' 46' ' ' PHE . 77.0 t -125.1 -47.71 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -116.03 -31.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 57.34 43.29 23.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -132.43 -33.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.49 157.52 14.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -83.67 121.91 27.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 ' C ' ' A' ' 38' ' ' LEU . 1.6 m -62.57 111.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.838 ' HA ' HD12 ' A' ' 62' ' ' LEU . 41.8 t30 -120.83 35.63 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.475 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 65.4 m95 -146.89 135.93 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 36' ' ' THR . 28.5 m -101.9 139.51 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.3 mt -98.96 76.15 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 60' ' ' PHE . 6.2 mt -60.12 157.2 33.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.9 Cg_endo -69.85 -45.21 0.44 Allowed 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.325 -0.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.513 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.87 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 32' ' ' PRO . 34.8 ttt180 65.61 54.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.486 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 64.3 m170 -107.24 124.89 50.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.528 HG21 HD11 ' A' ' 62' ' ' LEU . 16.6 p -92.1 85.37 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.3 p -133.43 30.49 3.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' HG12 ' A' ' 26' ' ' VAL . 87.0 mt -153.9 114.38 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -53.96 173.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.475 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.1 p-10 -53.82 -17.46 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.77 -42.95 1.49 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.54 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 m -64.62 -17.93 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -59.51 -31.63 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.47 -22.97 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.99 -42.67 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.5 m-85 -118.17 122.7 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.43 -20.6 62.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.622 ' HA ' HG23 ' A' ' 56' ' ' VAL . 8.8 mt-30 -118.68 174.66 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -81.43 120.78 79.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.699 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 8.5 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.758 2.306 . . . . 0.0 112.37 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.6 mtm -118.31 -59.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -97.29 -16.43 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.4 mmt85 61.27 48.65 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -105.24 124.58 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -42.87 117.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.622 HG23 ' HA ' ' A' ' 48' ' ' GLN . 51.7 t -78.41 100.6 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.462 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 14.6 pt20 -86.17 -31.72 21.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.6 pt-20 -147.47 146.09 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -147.78 125.16 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 31' ' ' LEU . 4.8 p90 -128.55 145.19 51.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.59 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 27' ' ' ASN . 13.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.41 31.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' A' ' 38' ' ' LEU . 87.7 t -126.4 -47.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -117.07 -31.0 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 58.89 42.28 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.94 -33.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.69 153.91 17.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m -78.7 126.11 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG12 ' C ' ' A' ' 38' ' ' LEU . 2.9 m -65.51 110.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.63 ' HA ' HD12 ' A' ' 62' ' ' LEU . 50.2 t30 -120.61 41.45 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 66.4 m95 -152.05 148.06 27.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' CE2' ' A' ' 60' ' ' PHE . 20.1 m -113.88 144.83 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD11 HD12 ' A' ' 38' ' ' LEU . 74.1 mt -108.24 74.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.2 mt -63.09 157.63 60.79 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' ARG . 54.0 Cg_endo -69.81 -46.03 0.39 Allowed 'Cis proline' 0 C--O 1.231 0.134 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.325 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -30.39 -38.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' PRO . 11.3 ttm180 56.85 54.98 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -103.52 103.27 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -70.16 83.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -134.74 38.62 3.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 43' ' ' VAL . 45.5 mt -159.34 128.86 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 m -68.96 179.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.572 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.34 -26.23 51.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 -42.64 2.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.56 -30.78 70.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.474 ' HA ' HD13 ' A' ' 38' ' ' LEU . 7.2 p -55.26 -33.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -17.55 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -58.6 -37.56 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -128.22 132.11 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -83.18 20.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -151.75 156.46 40.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 29.3 t -68.66 122.93 86.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 7.8 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.2 mtm -120.41 -65.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -89.03 -20.06 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 41.6 mmm-85 62.97 44.36 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -96.83 126.58 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -45.91 106.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.84 108.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -90.74 -41.18 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -139.75 145.21 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.7 m -146.95 140.73 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.525 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.9 p90 -142.68 158.45 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.86 127.7 34.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 27' ' ' ASN . 18.9 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.708 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.14 -36.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.723 HG11 ' CE1' ' A' ' 46' ' ' PHE . 29.3 m -62.39 -31.98 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.34 -43.87 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 63.61 39.86 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -128.42 -35.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.66 160.59 13.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -80.39 131.83 35.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 36' ' ' THR . 2.7 m -78.29 121.95 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -127.76 33.7 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.504 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.9 m95 -144.42 136.59 26.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.622 HG21 ' CE2' ' A' ' 60' ' ' PHE . 19.0 m -100.95 143.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 38' ' ' LEU . 40.8 mt -105.54 71.21 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.516 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.0 mt -59.81 156.98 31.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.4 Cg_endo -69.81 -44.09 0.55 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.258 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.53 ' SG ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -30.39 -40.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' PRO . 42.6 ttp180 63.21 55.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.53 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 59.4 m170 -106.92 110.76 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.487 ' CG2' HG12 ' A' ' 29' ' ' VAL . 37.6 p -83.64 78.45 9.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 p -130.52 34.29 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 30' ' ' LEU . 95.7 mt -153.73 106.61 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.41 168.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 8.4 p-10 -54.25 -19.01 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.18 -17.22 16.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.515 ' HB3' HG21 ' A' ' 20' ' ' VAL . 26.4 m -93.63 -26.23 17.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG23 HD21 ' A' ' 30' ' ' LEU . 9.4 p -58.67 -22.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.179 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -30.47 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.73 -35.22 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.723 ' CE1' HG11 ' A' ' 20' ' ' VAL . 6.9 m-85 -120.6 94.62 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -51.97 -17.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.425 ' HA ' HG23 ' A' ' 56' ' ' VAL . 8.1 mt-30 -122.64 166.95 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' ARG . 18.1 t -80.23 119.57 76.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 0.0 110.98 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 7.36 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mtm -111.11 -53.71 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 17.0 p -106.04 -13.76 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' CYS . 10.6 mmt85 57.8 47.99 14.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -105.09 120.5 41.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -41.69 114.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 48' ' ' GLN . 73.3 t -70.52 101.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 9.0 pt20 -83.59 -32.49 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.1 pt-20 -148.31 143.87 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.7 p -143.68 122.68 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.622 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.4 p90 -124.27 151.92 43.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . . . -84.22 117.95 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ALA . 29.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.626 ' SG ' HG22 ' A' ' 20' ' ' VAL . 13.7 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 37' ' ' CYS . 28.0 m -120.07 -38.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.626 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.2 m -63.2 -33.85 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.0 p -125.04 -26.85 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 43.15 39.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -125.82 -38.01 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.26 164.59 15.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 25' ' ' THR . 15.1 t -83.94 123.15 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.5 m -73.33 123.04 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -127.32 32.53 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' O ' HG22 ' A' ' 36' ' ' THR . 74.6 m95 -145.78 153.27 40.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG12 ' CG2' ' A' ' 36' ' ' THR . 31.0 m -120.53 146.54 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.602 ' HB3' HG22 ' A' ' 56' ' ' VAL . 24.7 mt -105.83 73.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 8.1 mt -61.18 157.88 40.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.595 0.712 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.1 Cg_endo -69.67 -45.5 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.4 -0.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.6 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' PRO . 7.8 ttm105 59.97 55.06 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -103.63 108.76 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.551 ' CG2' HG12 ' A' ' 29' ' ' VAL . 32.8 p -78.58 81.42 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.543 ' HB2' HG22 ' A' ' 19' ' ' VAL . 21.2 p -129.98 28.84 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 30' ' ' LEU . 89.2 mt -150.02 127.6 11.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLY . 55.7 m -71.08 169.71 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 p-10 -42.32 -24.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -100.98 -55.46 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 20' ' ' VAL . 17.2 m -47.7 -22.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.68 -36.22 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -92.73 -18.31 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.456 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 5.2 m-85 -57.78 -39.92 78.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.61 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -131.15 94.04 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -44.37 -21.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' PHE . 30.1 mt-30 -110.86 171.49 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 12.8 t -84.36 121.31 75.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.43 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 mtp -116.82 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -98.56 -19.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.0 mmt180 65.43 43.85 3.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -99.66 130.58 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -52.13 105.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 30' ' ' LEU . 98.0 t -63.69 101.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -85.35 -41.35 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -136.22 144.44 44.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 t -146.93 123.9 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.8 p90 -126.21 148.48 49.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 119.24 21.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 36' ' ' THR . 45.2 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.25 -26.87 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.68 HG21 ' CE1' ' A' ' 46' ' ' PHE . 42.3 t -63.0 -56.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -101.82 -36.63 8.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 64.57 42.46 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -134.39 -44.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.65 158.35 20.87 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -81.4 131.39 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -76.73 115.89 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -123.39 39.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.603 ' O ' HG22 ' A' ' 36' ' ' THR . 67.6 m95 -148.6 140.13 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG21 ' CE2' ' A' ' 60' ' ' PHE . 21.3 m -104.69 139.34 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 49' ' ' CYS . 25.0 mt -101.73 76.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.4 mt -61.93 156.16 58.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.4 Cg_endo -69.69 -47.84 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.365 -0.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.501 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -29.5 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.4 ttp180 61.4 54.73 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -104.39 112.53 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 28' ' ' TRP . 24.1 p -81.29 84.4 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -133.79 35.33 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.2 mt -154.24 115.54 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -56.03 165.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.511 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.0 p-10 -41.83 -29.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.48 -53.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 9.8 m -47.66 -22.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.347 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 40' ' ' ASP . 14.7 p -56.54 -36.7 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -88.38 -18.97 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.404 ' CD1' ' HA ' ' A' ' 42' ' ' CYS . 5.3 m-85 -59.6 -37.58 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 m-85 -126.74 130.86 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.36 16.73 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -156.36 135.03 11.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.8 t -47.32 116.8 4.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.26 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mtm -114.06 -62.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -93.26 -20.97 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.7 mmm-85 64.88 52.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.93 119.92 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.44 110.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.58 105.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.453 ' CD ' ' OE1' ' A' ' 58' ' ' GLU . 14.4 pt20 -90.68 -33.62 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 3.9 pt-20 -145.02 142.1 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.3 p -147.17 129.58 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.444 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 6.1 p90 -132.9 148.87 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.597 ' HB2' ' CE2' ' A' ' 28' ' ' TRP . . . -84.03 120.39 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 36' ' ' THR . 23.6 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 19' ' ' VAL . 10.8 m -96.77 33.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 38' ' ' LEU . 77.4 t -126.67 -56.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -105.56 -32.96 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 61.37 44.49 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -132.52 -38.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.53 162.06 12.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -87.29 128.09 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.342 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.49 HG12 ' C ' ' A' ' 38' ' ' LEU . 13.9 m -69.32 127.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -131.97 35.28 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.8 m95 -144.75 138.47 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.557 HG12 ' CG2' ' A' ' 36' ' ' THR . 20.3 m -105.59 130.02 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD11 HD12 ' A' ' 38' ' ' LEU . 80.2 mt -92.46 79.98 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.683 HD11 ' CE2' ' A' ' 60' ' ' PHE . 6.1 mt -64.09 158.31 64.22 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.77 -48.28 0.28 Allowed 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.72 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.8 ttt180 62.4 54.54 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 51' ' ' MET . 63.5 m170 -103.71 107.27 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.557 ' CG2' HG12 ' A' ' 29' ' ' VAL . 41.5 p -77.65 86.5 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.9 36.62 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.49 ' C ' HG12 ' A' ' 26' ' ' VAL . 56.1 mt -155.76 121.44 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.8 m -61.71 162.25 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.543 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-20 -42.32 -26.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 -49.12 2.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.423 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 m -59.24 -16.58 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 40' ' ' ASP . 7.6 p -58.04 -45.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -86.33 -15.59 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.89 -39.09 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -128.79 125.95 38.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -79.64 32.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HA ' HG23 ' A' ' 56' ' ' VAL . 26.9 mt-30 -158.61 174.79 14.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 16.6 t -87.18 120.19 71.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.82 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 8.72 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.416 ' HE2' ' HB3' ' A' ' 35' ' ' HIS . 8.3 mtm -119.24 -63.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.0 p -97.23 -16.06 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmm180 62.59 46.04 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.05 127.26 42.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -45.18 112.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' ' 48' ' ' GLN . 89.8 t -72.97 107.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.493 ' NE2' ' OE1' ' A' ' 58' ' ' GLU . 17.5 pt20 -95.3 -34.01 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.493 ' OE1' ' NE2' ' A' ' 57' ' ' GLN . 2.6 pt-20 -143.93 145.32 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.6 m -148.66 128.95 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.683 ' CE2' HD11 ' A' ' 31' ' ' LEU . 5.3 p90 -131.46 146.54 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.18 122.93 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.709 ' SG ' HG22 ' A' ' 20' ' ' VAL . 14.7 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.334 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.85 -36.75 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.709 HG22 ' SG ' ' A' ' 18' ' ' CYS . 17.0 m -61.68 -33.35 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -124.41 -41.92 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 61.92 43.76 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -129.56 -39.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.77 162.44 14.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 25' ' ' THR . 8.6 t -82.81 124.63 30.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 m -73.37 126.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -130.45 30.61 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' THR . 79.9 m95 -142.47 141.88 32.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG12 ' CG2' ' A' ' 36' ' ' THR . 25.8 m -109.03 137.74 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 HD12 ' A' ' 38' ' ' LEU . 48.4 mt -97.68 76.43 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.4 mt -66.01 157.85 78.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.54 0.685 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -47.02 0.33 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.326 -0.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.33 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' PRO . 58.4 ttp85 64.31 55.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 63.0 m170 -106.74 99.04 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.56 ' CG2' HG12 ' A' ' 29' ' ' VAL . 32.4 p -70.62 82.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 p -131.11 32.56 4.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD12 HD11 ' A' ' 30' ' ' LEU . 93.8 mt -152.22 117.39 5.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.15 178.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.6 -15.17 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.75 -40.16 1.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 20' ' ' VAL . 11.4 m -65.43 -14.2 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.47 -31.66 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -94.39 -14.04 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.28 -36.11 83.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.542 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -130.51 96.39 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -47.63 -19.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -115.72 168.35 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.3 t -81.78 120.78 78.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 7.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.6 mtp -116.2 -59.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -97.73 -21.26 17.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 65.27 46.38 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -102.98 122.38 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -44.29 107.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.72 104.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -90.02 -32.41 16.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -145.49 144.87 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.7 p -148.06 122.1 9.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 3.3 p90 -122.09 156.72 32.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.0 127.89 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.952 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.667 ' SG ' HG22 ' A' ' 20' ' ' VAL . 38.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.418 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 33.7 m -109.75 -36.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.667 HG22 ' SG ' ' A' ' 18' ' ' CYS . 18.2 m -74.31 -35.19 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -127.91 -19.13 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.441 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 4.9 pt20 39.36 35.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -118.81 -29.98 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.05 166.49 12.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -84.38 129.58 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.488 HG12 ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -77.93 112.58 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -124.15 39.51 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 81.1 m95 -152.17 120.98 6.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 36' ' ' THR . 20.9 m -88.72 139.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.673 HD11 HD12 ' A' ' 38' ' ' LEU . 53.3 mt -100.66 76.37 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -61.11 157.55 41.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.75 -47.01 0.33 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.336 -0.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -42.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' PRO . 38.8 ttp180 65.67 54.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 61.7 m170 -107.46 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 29' ' ' VAL . 11.3 p -85.29 79.76 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.167 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 22.2 p -127.19 33.03 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 30' ' ' LEU . 91.8 mt -155.97 115.43 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 57.2 m -53.16 175.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.813 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.577 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.9 p30 -46.98 -32.72 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.25 -54.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.562 ' HB3' HG21 ' A' ' 20' ' ' VAL . 27.9 m -46.14 -24.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 40' ' ' ASP . 13.4 p -56.66 -38.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' VAL . 13.2 pttt -88.98 -16.98 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.7 m-85 -60.6 -38.26 84.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -129.75 93.46 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -42.91 -22.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' PHE . 44.5 mt-30 -110.76 170.3 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 17.1 t -84.66 121.22 74.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.63 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 mtp -114.41 -60.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.91 -21.78 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 18.1 mmm180 64.97 51.45 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -110.83 127.54 55.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -45.95 116.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.82 103.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 4.6 pt20 -87.5 -32.53 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 8.5 pt-20 -145.49 148.14 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -148.27 123.87 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.1 p90 -129.53 139.72 51.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.95 133.36 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.2 m -103.64 33.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.54 -47.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.5 -37.07 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 63.95 44.1 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -134.19 -33.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.27 156.83 15.4 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -80.76 136.86 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.418 HG12 ' C ' ' A' ' 38' ' ' LEU . 9.6 m -81.21 121.83 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -129.3 38.23 3.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.1 m95 -145.78 137.12 24.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG12 HG23 ' A' ' 36' ' ' THR . 33.8 m -101.42 131.82 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.5 mt -92.33 71.48 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.507 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.0 mt -58.92 158.19 17.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.537 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.8 -46.54 0.36 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.607 -1.83 . . . . 0.0 112.367 -0.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.537 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -26.99 -43.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.8 ttp180 67.58 54.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -110.13 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 28' ' ' TRP . 14.3 p -81.34 84.43 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 p -133.79 37.48 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' C ' HG12 ' A' ' 26' ' ' VAL . 44.5 mt -158.22 117.37 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -56.08 166.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.626 ' O ' HG12 ' A' ' 43' ' ' VAL . 5.2 t70 -42.95 -33.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.33 -48.99 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -53.66 -22.25 8.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 40' ' ' ASP . 10.1 p -57.51 -34.56 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -90.07 -21.28 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -55.83 -41.9 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -120.97 129.37 53.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -87.45 16.61 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -156.17 133.43 10.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -45.97 116.94 3.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 7.93 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.63 2.22 . . . . 0.0 112.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.6 mtm -116.3 -64.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.88 -19.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmm180 66.54 43.82 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -97.43 126.74 42.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -48.47 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.21 106.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -96.23 -33.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 31' ' ' LEU . 7.7 pt-20 -144.44 147.12 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.7 p -148.79 124.29 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 4.5 p90 -123.98 147.66 47.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.23 129.24 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.69 ' SG ' HG22 ' A' ' 20' ' ' VAL . 13.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.16 -31.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.747 HG11 ' CE1' ' A' ' 46' ' ' PHE . 15.4 m -67.8 -34.62 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -118.99 -38.01 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 56.57 40.54 29.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -132.86 -34.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -159.8 29.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.9 m -120.29 122.63 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.782 0.325 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 18' ' ' CYS . 4.0 m -67.95 119.71 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 14.5 t-20 -133.77 41.23 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.5 m95 -155.64 114.32 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.48 ' HB ' ' CG ' ' A' ' 34' ' ' ARG . 17.1 m -83.72 134.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD11 HD12 ' A' ' 38' ' ' LEU . 75.2 mt -96.02 81.42 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -65.64 157.12 80.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 0.0 110.931 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.6 Cg_endo -69.7 -47.82 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.764 -1.765 . . . . 0.0 112.303 -0.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.4 ttt180 62.27 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 61.9 m170 -104.29 95.95 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.553 HG23 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -70.31 76.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HA ' HG11 ' A' ' 26' ' ' VAL . 2.4 m -122.14 31.48 6.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 30' ' ' LEU . 96.9 mt -149.67 120.89 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.28 165.36 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.561 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 5.6 p-10 -49.27 -20.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 44' ' ' LYS . . . -105.7 -22.14 8.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' HB3' HG21 ' A' ' 20' ' ' VAL . 35.3 m -83.28 -36.79 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.834 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.485 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 12.6 p -51.36 -21.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 45' ' ' TYR . 3.2 pttm -93.99 -27.97 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.414 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.3 m-85 -64.37 -28.92 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.747 ' CE1' HG11 ' A' ' 20' ' ' VAL . 1.3 m-85 -127.31 130.42 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -82.39 -19.29 39.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' HA ' HG23 ' A' ' 56' ' ' VAL . 27.3 mt-30 -118.37 168.99 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 22.5 t -73.97 120.73 82.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.528 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.6 Cg_endo -69.81 11.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.406 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.1 mtm -119.68 -60.73 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -100.04 -14.13 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.2 mmt180 62.77 49.92 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -101.27 126.49 48.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.51 108.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 48' ' ' GLN . 91.4 t -67.8 99.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 10.3 pt20 -85.85 -35.08 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 5.3 pt-20 -145.77 146.42 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m -148.44 150.22 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -153.84 153.54 32.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB1' ' OD1' ' A' ' 27' ' ' ASN . . . -81.62 129.95 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.702 ' SG ' HG22 ' A' ' 20' ' ' VAL . 22.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.819 0.343 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 37' ' ' CYS . 35.9 m -120.71 -38.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.702 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.9 m -59.51 -33.25 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.0 p -127.51 -26.37 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 44.5 39.04 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -122.84 -40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.46 164.18 13.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t -81.31 131.11 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 36' ' ' THR . 30.1 m -82.62 126.31 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -131.49 32.47 4.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.644 ' C ' HG23 ' A' ' 36' ' ' THR . 74.6 m95 -147.23 117.76 7.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG12 ' OG1' ' A' ' 36' ' ' THR . 23.0 m -87.7 143.33 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 38' ' ' LEU . 39.7 mt -102.54 79.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 32' ' ' PRO . 19.7 mt -63.2 158.46 55.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.582 ' O ' HD23 ' A' ' 31' ' ' LEU . 54.0 Cg_endo -69.67 -48.17 0.28 Allowed 'Cis proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.383 -0.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.514 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.19 -41.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' PRO . 32.5 ttt180 69.11 52.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -102.6 103.63 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.644 HG23 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -77.82 46.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB2' HG22 ' A' ' 19' ' ' VAL . 25.6 p -92.77 39.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 30' ' ' LEU . 99.4 mt -156.6 120.76 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.38 165.48 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 4.9 p-10 -41.03 -29.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.53 -44.29 2.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB3' HG21 ' A' ' 20' ' ' VAL . 9.4 m -58.85 -28.47 66.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.872 0.367 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.458 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 6.2 p -50.61 -34.1 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -94.95 -17.27 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -59.34 -42.7 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.47 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -125.05 97.62 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.837 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -45.97 -23.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -110.95 162.95 14.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.7 t -73.29 118.24 67.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.2 Cg_endo -69.81 8.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.2 mtm -117.64 -60.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.39 -18.3 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmt180 66.02 46.19 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -103.91 127.71 51.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -49.72 111.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 30' ' ' LEU . 91.6 t -68.77 104.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -88.77 -39.12 14.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' A' ' 31' ' ' LEU . 9.1 pt-20 -139.76 141.36 36.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -145.41 133.2 21.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.8 p90 -134.4 161.52 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.65 116.54 28.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -120.29 174.68 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 p -92.01 -57.47 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.61 40.67 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -94.84 92.93 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.364 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -97.82 42.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.62 89.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 8' ' ' VAL . 32.0 m -113.73 100.92 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -139.62 149.32 59.37 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.692 0.758 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 169.49 18.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 m -48.16 -52.06 22.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -143.14 119.15 10.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -108.6 43.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -154.45 117.09 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.5 t -173.53 133.4 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt 40.37 43.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -111.52 169.44 8.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.421 ' HB2' HG13 ' A' ' 26' ' ' VAL . 53.2 t -65.81 129.83 41.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 m -93.88 22.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG21 ' CE1' ' A' ' 46' ' ' PHE . 88.1 t -118.81 -52.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.59 -15.21 11.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 39.28 37.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -119.3 -35.62 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.17 161.53 12.65 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 25' ' ' THR . 8.3 t -84.02 123.23 29.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 36' ' ' THR . 5.1 m -68.28 122.13 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -129.68 39.84 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 75.7 m95 -150.25 133.83 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.695 HG21 ' CE2' ' A' ' 60' ' ' PHE . 33.5 m -98.2 141.77 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 36.8 mt -101.97 79.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.515 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.0 mt -61.63 157.28 48.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.952 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.67 -47.75 0.3 Allowed 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.344 -0.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.86 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttp85 67.16 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -101.37 128.85 47.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.472 ' CG2' HG12 ' A' ' 29' ' ' VAL . 69.2 p -100.6 80.31 2.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.4 m -131.36 27.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.2 mt -145.94 112.28 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 41' ' ' GLY . 34.6 m -53.84 162.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.1 m-20 -42.78 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 39' ' ' CYS . . . -100.72 -46.08 1.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 m -61.13 -15.53 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.97 -32.33 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -91.29 -20.94 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -56.83 -44.74 82.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.406 ' CE1' HG21 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -120.62 114.79 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -61.53 -19.55 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.56 176.65 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 16.8 t -84.34 124.98 73.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 9.03 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtm -122.14 -61.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.28 -16.62 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 44.9 mmm-85 58.23 50.46 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -104.84 126.84 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -43.71 110.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.31 106.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -92.37 -33.38 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.491 ' HG3' HD13 ' A' ' 31' ' ' LEU . 3.1 pt-20 -144.35 147.66 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -147.88 133.61 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.695 ' CE2' HG21 ' A' ' 29' ' ' VAL . 8.6 p90 -137.91 150.51 47.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.72 132.7 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.08 -62.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t 41.25 47.4 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.85 -168.11 13.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.72 3.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 m -95.07 97.5 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 t -157.73 158.87 36.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.495 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 3' ' ' SER . 32.2 t -154.31 136.62 14.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' SER . 58.8 m -35.1 115.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.13 110.69 1.11 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -126.75 109.64 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.91 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -147.46 156.87 43.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.23 170.21 13.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 8' ' ' VAL . 16.3 m -88.32 80.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.78 146.93 97.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -172.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.0 m -121.6 77.3 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -125.27 40.69 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -70.21 129.17 38.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.2 m120 41.8 41.59 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -41.16 135.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -69.32 -41.61 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -50.32 176.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.14 120.72 10.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -88.59 16.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 38' ' ' LEU . 99.4 t -110.68 -40.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.22 -16.82 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 44.2 40.12 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.3 -46.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.48 30.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.9 m -97.69 110.36 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.151 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 36' ' ' THR . 7.0 m -57.13 113.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -123.44 37.08 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.482 ' O ' HG22 ' A' ' 36' ' ' THR . 79.9 m95 -145.72 133.48 21.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.601 HG12 HG23 ' A' ' 36' ' ' THR . 18.6 m -100.24 138.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.672 ' HB3' HG22 ' A' ' 56' ' ' VAL . 12.9 mt -99.28 71.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.1 mt -55.28 156.64 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 110.992 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.8 -44.61 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.359 -0.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -31.53 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' PRO . 12.9 ttp-105 61.89 55.03 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -105.43 112.2 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.601 HG23 HG12 ' A' ' 29' ' ' VAL . 23.6 p -84.15 82.12 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.32 32.22 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' C ' HG12 ' A' ' 26' ' ' VAL . 71.5 mt -155.04 118.27 4.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.71 173.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 t0 -59.39 -11.61 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.23 -30.7 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.9 m -82.19 -10.98 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.08 -30.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -90.74 -17.05 27.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.66 -37.44 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -128.9 94.31 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.934 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -20.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -112.35 164.61 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 30' ' ' LEU . 16.6 t -76.36 119.83 79.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 9.67 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.3 mtm -119.15 -56.57 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -100.97 -14.28 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.3 mmt85 59.72 47.7 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -104.49 130.62 52.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.05 108.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.672 HG22 ' HB3' ' A' ' 30' ' ' LEU . 73.7 t -67.66 101.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.8 pt20 -85.74 -39.71 16.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 4.0 pt-20 -139.51 140.94 37.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -140.96 122.36 14.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -124.39 150.68 45.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.15 136.62 35.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.476 HD11 HG21 ' A' ' 36' ' ' THR . 18.6 mt -60.49 -45.2 94.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -121.74 158.35 28.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.04 169.32 34.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.06 3.84 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.395 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.6 p -70.47 152.17 44.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.6 t -79.88 155.1 27.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.505 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -87.39 132.44 33.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.828 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -138.38 136.98 36.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.26 121.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -136.49 151.19 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -71.22 102.74 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.21 -153.13 5.84 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -150.09 131.95 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.56 150.93 34.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -176.53 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -55.86 -53.71 53.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.54 147.13 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -63.97 171.15 3.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -152.08 133.62 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.0 m -61.38 103.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -103.96 -44.25 5.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 15.7 m-20 -140.96 174.49 10.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.831 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t -65.44 129.24 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 m -93.51 21.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.1 t -119.88 -46.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.1 p -124.37 -6.87 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' C ' ' O ' ' A' ' 21' ' ' CYS . 1.2 pp0? 29.73 46.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -125.62 -38.14 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.64 175.55 21.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.1 m -97.99 113.0 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 36' ' ' THR . 9.4 m -61.17 113.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.764 ' HA ' HD12 ' A' ' 62' ' ' LEU . 37.2 t30 -123.25 32.74 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.7 m95 -141.77 135.61 29.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG12 HG23 ' A' ' 36' ' ' THR . 26.6 m -101.64 143.48 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 49' ' ' CYS . 54.4 mt -103.68 71.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD13 ' HG3' ' A' ' 58' ' ' GLU . 9.7 mt -54.61 157.96 4.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.8 Cg_endo -69.85 -45.79 0.4 Allowed 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.279 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.1 p -28.74 -40.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 19.2 ttp-105 65.09 54.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -107.75 119.57 39.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.793 HG21 HD11 ' A' ' 62' ' ' LEU . 37.5 p -90.88 81.23 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.05 29.41 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' HG12 ' A' ' 26' ' ' VAL . 32.1 mt -149.89 119.65 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 m -58.46 169.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.1 t70 -49.26 -19.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 -53.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.3 m -55.22 -17.09 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.0 p -62.68 -34.03 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -91.77 -15.0 28.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.71 -40.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.49 134.32 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -83.72 32.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.537 ' HA ' HG23 ' A' ' 56' ' ' VAL . 24.7 mt-30 -158.77 171.78 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HA ' HD13 ' A' ' 30' ' ' LEU . 11.9 t -84.52 119.81 73.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 9.73 0.56 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.4 mtm -118.16 -62.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.8 p -96.77 -16.43 20.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.1 mmt85 63.49 45.9 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -101.33 129.16 47.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -47.01 115.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 48' ' ' GLN . 93.7 t -73.55 107.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -89.17 -36.97 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HG3' HD13 ' A' ' 31' ' ' LEU . 3.6 pt-20 -144.21 148.5 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -147.17 136.08 22.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.9 p90 -141.41 155.44 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.69 130.59 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.793 HD11 HG21 ' A' ' 36' ' ' THR . 14.6 mt -52.98 -53.6 47.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -72.48 -45.85 57.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.48 -173.78 16.67 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 97.24 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.228 . . . . 0.0 112.338 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -85.44 -43.77 13.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.4 p -74.17 119.81 18.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.525 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -129.36 144.4 51.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -92.8 -55.56 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.35 166.55 13.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -112.57 84.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 m -94.77 89.74 5.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.95 79.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 8' ' ' VAL . 30.2 m -115.58 77.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.164 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -145.44 152.38 49.66 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 166.96 25.8 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -78.4 49.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -154.82 124.31 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -114.46 109.7 18.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -129.66 107.48 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.5 p -40.9 119.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -123.39 -38.93 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -106.21 177.0 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.4 t -64.98 130.63 44.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 37' ' ' CYS . 19.4 m -94.58 27.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.59 -54.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.59 -17.82 13.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 40.96 36.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.68 -32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.84 -158.45 29.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.5 m -130.63 100.73 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.912 ' HB ' HG22 ' A' ' 36' ' ' THR . 2.8 m -41.73 119.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 30.9 t30 -133.39 36.21 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 67.9 m95 -153.44 128.9 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.526 HG13 HD21 ' A' ' 62' ' ' LEU . 27.5 m -94.97 135.93 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 56' ' ' VAL . 48.7 mt -94.94 69.59 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 5.3 mt -53.61 158.51 3.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.5 Cg_endo -69.69 -45.74 0.4 Allowed 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.435 -0.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.4 p -28.5 -41.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.3 ttp-105 66.5 53.28 0.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.8 m170 -107.08 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.912 HG22 ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.41 71.86 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB2' HG22 ' A' ' 19' ' ' VAL . 9.3 p -117.29 33.85 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 HD12 HD11 ' A' ' 30' ' ' LEU . 74.5 mt -156.61 116.96 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -58.01 168.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.7 p-10 -44.45 -27.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.08 -51.71 1.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.0 m -54.83 -16.53 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 40' ' ' ASP . 14.2 p -60.03 -37.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -88.65 -19.61 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -56.52 -44.35 80.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -123.85 103.26 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -52.96 -20.58 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.47 162.87 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 12.4 t -72.37 119.55 75.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 9.35 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.775 2.317 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.7 mtp -119.01 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -95.12 -18.72 20.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.0 mmm180 65.19 51.72 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -109.3 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -42.7 110.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 30' ' ' LEU . 86.2 t -68.86 101.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.28 -37.76 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HG3' HD13 ' A' ' 31' ' ' LEU . 4.5 pt-20 -143.23 145.45 32.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -147.8 122.62 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.8 p90 -127.3 149.76 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.08 133.36 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 29' ' ' VAL . 19.5 mt -56.82 -47.73 79.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t -77.41 161.49 27.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 65' ' ' PRO . . . 111.1 -129.83 9.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.439 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 64' ' ' GLY . 54.0 Cg_endo -69.77 153.73 68.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.638 2.225 . . . . 0.0 112.39 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 t -108.37 -47.2 3.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.5 p -129.79 159.84 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.49 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -95.64 105.03 16.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.347 . . . . 0.0 110.946 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -46.74 172.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.88 -109.54 1.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -89.76 -50.58 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m 38.26 38.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.96 116.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.556 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 8' ' ' VAL . 30.6 m -123.38 109.73 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.312 . . . . 0.0 111.145 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -148.57 151.35 35.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.61 68.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -79.3 49.76 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -60.47 156.84 15.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.66 122.71 30.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -115.72 52.98 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -89.93 28.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.8 71.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -168.6 149.64 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.586 ' SG ' HG22 ' A' ' 20' ' ' VAL . 12.1 t -55.93 161.93 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 37' ' ' CYS . 30.0 m -120.92 -38.4 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.586 HG22 ' SG ' ' A' ' 18' ' ' CYS . 11.8 m -61.22 -35.8 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -123.76 -22.79 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 40.63 36.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -119.3 -40.93 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.08 163.69 13.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.421 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -79.75 138.02 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG12 ' C ' ' A' ' 38' ' ' LEU . 7.5 m -87.35 123.19 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -126.71 34.76 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' O ' HG22 ' A' ' 36' ' ' THR . 68.5 m95 -147.02 148.54 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.583 HG12 ' CG2' ' A' ' 36' ' ' THR . 32.8 m -113.35 145.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 46.8 mt -105.89 72.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.3 mt -60.42 157.09 37.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.1 Cg_endo -69.75 -45.44 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.309 -0.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -40.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' PRO . 33.2 ttp180 62.32 54.95 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -104.57 108.38 19.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 28' ' ' TRP . 29.4 p -80.17 81.92 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB2' HG22 ' A' ' 19' ' ' VAL . 6.0 p -132.84 34.3 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' C ' HG12 ' A' ' 26' ' ' VAL . 62.6 mt -151.51 118.13 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 m -59.72 174.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -59.64 -11.71 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.73 -23.07 5.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.76 -16.04 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.75 -31.44 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -3.85 50.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -77.21 -31.68 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CE2' HG11 ' A' ' 20' ' ' VAL . 2.3 m-85 -131.45 126.38 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.29 0.94 17.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -135.19 175.94 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.5 t -85.92 118.91 71.36 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 10.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.722 2.281 . . . . 0.0 112.381 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.3 mtm -119.71 -54.31 2.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 p -106.26 -12.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.6 mmm180 59.21 48.05 10.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -99.6 127.82 45.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -49.42 109.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.32 103.44 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.404 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 13.7 pt20 -88.65 -32.03 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 5.5 pt-20 -147.38 142.06 26.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -142.31 123.86 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.7 p90 -129.54 143.64 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.26 127.81 33.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 36' ' ' THR . 15.5 mt -47.82 -45.07 29.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 t -49.13 -48.27 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.61 127.83 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.529 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -32.31 19.12 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.7 t -55.94 -62.84 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -150.99 121.07 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 p -157.26 123.66 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 p -139.43 137.83 35.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.06 52.77 0.45 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.438 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -104.46 135.53 45.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -161.1 143.78 12.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.0 -165.64 12.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' ' 8' ' ' VAL . 17.2 t 42.89 41.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.72 146.11 91.03 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.636 0.732 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 172.31 12.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' GLU . 61.3 p -42.94 -53.07 4.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -35.75 127.33 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -133.65 39.94 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 m120 67.18 43.46 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -124.54 -46.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.92 40.52 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -118.19 165.46 13.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.55 148.84 46.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 m -106.03 -32.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.18 -52.63 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -106.78 -37.87 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 61.44 45.94 8.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -133.96 -41.2 0.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.16 174.19 27.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.4 m -95.65 115.15 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.305 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.4 m -63.44 113.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -119.9 32.66 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.57 ' O ' HG22 ' A' ' 36' ' ' THR . 87.7 m95 -142.19 138.19 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG12 HG23 ' A' ' 36' ' ' THR . 20.4 m -105.18 139.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 52.2 mt -99.99 72.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -61.34 156.99 47.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.3 Cg_endo -69.71 -44.49 0.5 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.354 -0.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.498 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.72 -41.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' PRO . 13.8 ttp180 62.71 54.91 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -107.04 108.75 20.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 28' ' ' TRP . 17.4 p -80.9 79.47 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 p -127.48 33.4 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt -154.49 119.3 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 m -62.56 172.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -51.69 -16.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.66 -39.19 1.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 m -69.5 -18.01 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.0 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -87.72 -15.53 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.2 m-85 -63.0 -36.65 84.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -131.48 114.24 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.36 -14.03 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -122.11 161.05 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 19.6 t -73.64 118.37 68.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.63 9.56 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.748 2.298 . . . . 0.0 112.417 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.1 mtm -117.12 -61.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -96.84 -15.04 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.9 mmm180 62.43 46.51 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -101.59 130.43 47.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -52.96 110.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.43 95.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 6.2 pt20 -85.8 -27.89 24.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.7 pt-20 -151.54 142.77 23.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -148.37 122.83 9.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 5.2 p90 -122.8 158.73 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.71 34.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.81 -56.4 17.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 p -85.87 138.93 31.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.98 -137.24 4.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.81 8.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.318 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 t -55.63 -61.2 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -130.87 100.79 5.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.539 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -105.01 113.21 26.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 p -90.26 123.19 33.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.01 -103.38 2.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -122.34 104.92 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -66.22 -49.43 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.35 89.09 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 8' ' ' VAL . 16.8 m -115.78 112.39 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -154.61 149.63 20.43 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.591 0.71 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 153.88 68.39 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -80.33 70.67 7.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -124.98 133.76 52.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -144.04 120.41 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -53.18 101.99 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.6 t -116.84 -49.49 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' O ' HG22 ' A' ' 26' ' ' VAL . 35.1 mtpt -101.32 47.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.03 139.95 48.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -67.17 129.51 40.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.424 HG22 ' HB3' ' A' ' 37' ' ' CYS . 15.3 m -93.08 16.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 38' ' ' LEU . 88.9 t -110.93 -62.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.61 -30.92 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 60.28 42.5 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -128.92 -42.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.17 163.59 15.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.556 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 25' ' ' THR . 12.9 t -88.75 120.24 29.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.107 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 36' ' ' THR . 9.3 m -63.08 125.85 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -134.94 41.25 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.446 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 79.0 m95 -150.24 130.29 13.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 HG23 ' A' ' 36' ' ' THR . 25.8 m -94.67 128.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 49' ' ' CYS . 83.6 mt -86.92 71.91 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 14.6 mt -56.34 156.8 10.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.69 -46.07 0.38 Allowed 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.389 -0.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.03 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.8 ttt180 69.5 53.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -105.64 124.84 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.688 HG21 HD11 ' A' ' 62' ' ' LEU . 39.1 p -96.34 81.41 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.424 ' HB3' HG22 ' A' ' 19' ' ' VAL . 22.9 m -132.43 36.32 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 20' ' ' VAL . 81.2 mt -155.81 109.47 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.007 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.6 m -47.72 167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.0 p30 -46.52 -20.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.71 -48.03 1.13 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.3 m -57.44 -15.89 8.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.399 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.9 -37.26 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -87.93 -16.8 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.93 -43.17 99.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -120.05 95.45 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -45.32 -22.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.44 ' HA ' HG23 ' A' ' 56' ' ' VAL . 21.6 mt-30 -112.25 173.36 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HA ' HD13 ' A' ' 30' ' ' LEU . 33.8 t -82.67 122.41 78.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.605 0.717 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 7.3 1.03 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.749 2.3 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.1 mtm -116.02 -61.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.5 p -97.47 -20.04 18.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 12.1 mmm180 62.95 51.35 2.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' PHE . 10.4 tt0 -108.07 120.4 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.1 t80 -34.92 112.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 48' ' ' GLN . 98.6 t -73.54 100.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.467 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 2.5 pt20 -78.02 -34.5 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 12.9 pt-20 -152.17 155.82 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -149.54 124.99 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 3.3 p90 -129.33 150.55 50.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.12 125.2 28.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 36' ' ' THR . 22.0 mt -40.45 -52.07 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.1 t -65.64 -51.17 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.89 -166.52 12.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -178.94 2.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.304 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.6 p -67.74 176.87 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.8 m -137.99 124.36 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.538 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -128.19 168.41 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.364 . . . . 0.0 110.864 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -121.4 163.3 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.4 137.77 13.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -98.05 111.04 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -68.53 119.26 12.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.92 49.98 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 m -112.4 113.81 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 111.187 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -133.91 153.07 79.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 162.29 42.64 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -85.62 62.92 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -127.22 90.71 3.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -100.85 141.27 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -92.41 79.68 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.7 m -122.14 -56.52 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? 40.35 43.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -118.18 169.53 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.608 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.6 t -55.75 167.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.27 -37.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.71 HG11 ' CE1' ' A' ' 46' ' ' PHE . 16.0 m -61.0 -35.21 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -119.83 -39.36 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 61.34 44.94 9.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.03 -43.12 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.92 168.23 19.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.5 m -87.61 131.81 34.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 36' ' ' THR . 4.2 m -77.96 118.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -124.91 39.47 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 73.8 m95 -150.49 135.76 17.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG21 ' CE2' ' A' ' 60' ' ' PHE . 27.5 m -98.82 137.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 49' ' ' CYS . 27.7 mt -99.28 70.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 13.5 mt -59.48 157.29 26.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.4 Cg_endo -69.83 -46.25 0.37 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -41.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.4 ttp180 64.43 55.06 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -108.42 107.98 18.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 26' ' ' VAL . 47.0 p -78.77 83.04 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' HD23 ' A' ' 38' ' ' LEU . 7.2 m -132.68 34.4 3.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 50' ' ' PRO . 55.9 mt -152.04 111.66 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.02 171.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -49.19 -29.06 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.83 -44.92 2.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HB3' HG21 ' A' ' 20' ' ' VAL . 32.9 m -58.44 -16.79 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 40' ' ' ASP . 13.3 p -59.81 -33.02 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -93.34 -17.37 23.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -125.89 93.16 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -44.18 -25.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.456 ' HA ' HG23 ' A' ' 56' ' ' VAL . 37.1 mt-30 -110.91 169.36 8.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' HA ' HD13 ' A' ' 30' ' ' LEU . 41.1 t -78.19 120.43 81.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HG3' HD21 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.82 9.5 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.9 mtm -116.82 -60.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -97.65 -18.38 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 64.14 48.89 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -105.82 119.51 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -39.36 115.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' HA ' ' A' ' 48' ' ' GLN . 97.6 t -72.65 106.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -89.45 -37.83 14.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.4 pt-20 -141.63 137.95 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.7 p -139.49 122.06 16.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -128.32 151.09 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.01 128.74 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.1 mt -43.8 -55.66 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.6 m -103.87 -48.39 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.94 -131.91 4.81 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.27 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.744 2.296 . . . . 0.0 112.3 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.5 p -148.52 152.22 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -58.83 100.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.49 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -67.53 -57.67 6.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.904 0.383 . . . . 0.0 110.907 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -127.72 157.98 38.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.63 82.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.453 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -143.4 125.77 15.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -103.89 175.96 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.23 -77.25 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.387 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 8' ' ' VAL . 35.1 m -127.59 118.13 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.07 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.1 138.69 0.83 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -177.72 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -132.44 39.69 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -74.09 96.76 2.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -103.36 167.12 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -114.75 81.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -104.47 -49.19 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -106.31 67.45 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -148.41 166.69 27.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.728 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.1 t -72.01 167.44 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.0 -33.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.728 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.7 m -63.14 -33.19 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -118.87 -34.69 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 58.79 33.46 23.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -125.97 -44.34 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.76 176.08 27.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -95.91 148.37 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.839 ' HB ' HG22 ' A' ' 36' ' ' THR . 4.7 m -91.11 123.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 10.9 t-20 -132.14 39.29 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 27' ' ' ASN . 80.1 m95 -156.95 115.27 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 m -82.31 136.29 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.767 HD11 HD12 ' A' ' 38' ' ' LEU . 78.1 mt -96.36 80.49 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 32' ' ' PRO . 9.5 mt -65.79 158.37 75.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.5 Cg_endo -69.77 -47.86 0.29 Allowed 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.294 -0.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.61 -43.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttt-85 68.79 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -106.92 99.74 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.839 HG22 ' HB ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -74.3 63.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.0 39.5 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.767 HD12 HD11 ' A' ' 30' ' ' LEU . 96.6 mt -156.38 118.1 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.42 172.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.507 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.9 p-10 -49.04 -29.28 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.3 -47.24 2.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.17 -26.11 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.23 -33.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -94.21 -18.85 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.432 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 4.9 m-85 -59.12 -43.76 91.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -124.72 91.2 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.64 -23.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -113.7 151.03 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.6 t -60.72 118.56 35.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.1 Cg_endo -69.82 9.9 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.259 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.3 mtm -118.93 -63.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.4 p -93.32 -17.64 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmt85 65.21 47.55 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -104.4 127.99 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -49.84 112.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.23 99.35 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.514 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 12.8 pt20 -87.44 -34.37 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' OE2' ' NE2' ' A' ' 57' ' ' GLN . 7.5 pt-20 -145.38 143.8 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -148.91 140.11 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.4 p90 -139.88 152.33 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.66 127.52 32.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.5 mt -44.65 -56.67 4.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.6 m -81.33 -52.22 7.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.77 161.74 12.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.61 31.03 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.36 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.7 p -75.17 156.11 36.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.777 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.7 m -100.77 81.62 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.793 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.495 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -135.64 175.61 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -87.68 113.86 23.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.05 -84.49 1.78 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -67.52 144.54 55.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.407 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -122.71 141.6 51.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.16 -151.13 28.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.14 113.46 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -143.03 149.32 48.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.725 0.774 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -174.58 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.3 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -78.63 -43.4 26.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -64.75 158.19 25.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.05 140.12 32.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -54.7 163.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.78 26.32 10.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -93.25 -45.62 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.16 173.46 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -55.49 129.04 37.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.37 28.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.446 HG21 ' CE1' ' A' ' 46' ' ' PHE . 77.0 t -125.1 -47.71 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -116.03 -31.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 57.34 43.29 23.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -132.43 -33.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.49 157.52 14.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -83.67 121.91 27.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 ' C ' ' A' ' 38' ' ' LEU . 1.6 m -62.57 111.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.838 ' HA ' HD12 ' A' ' 62' ' ' LEU . 41.8 t30 -120.83 35.63 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.475 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 65.4 m95 -146.89 135.93 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 36' ' ' THR . 28.5 m -101.9 139.51 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 72.3 mt -98.96 76.15 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 60' ' ' PHE . 6.2 mt -60.12 157.2 33.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.9 Cg_endo -69.85 -45.21 0.44 Allowed 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.325 -0.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.513 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.87 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 32' ' ' PRO . 34.8 ttt180 65.61 54.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -107.24 124.89 50.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.528 HG21 HD11 ' A' ' 62' ' ' LEU . 16.6 p -92.1 85.37 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.3 p -133.43 30.49 3.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' HG12 ' A' ' 26' ' ' VAL . 87.0 mt -153.9 114.38 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -53.96 173.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.475 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.1 p-10 -53.82 -17.46 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.77 -42.95 1.49 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.54 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 m -64.62 -17.93 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -59.51 -31.63 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.47 -22.97 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.99 -42.67 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.5 m-85 -118.17 122.7 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.43 -20.6 62.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.622 ' HA ' HG23 ' A' ' 56' ' ' VAL . 8.8 mt-30 -118.68 174.66 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -81.43 120.78 79.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.699 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 8.5 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.758 2.306 . . . . 0.0 112.37 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.6 mtm -118.31 -59.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -97.29 -16.43 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.4 mmt85 61.27 48.65 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -105.24 124.58 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -42.87 117.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.622 HG23 ' HA ' ' A' ' 48' ' ' GLN . 51.7 t -78.41 100.6 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 14.6 pt20 -86.17 -31.72 21.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.6 pt-20 -147.47 146.09 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -147.78 125.16 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 31' ' ' LEU . 4.8 p90 -128.55 145.19 51.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.59 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 27' ' ' ASN . 13.3 mt -43.11 -45.65 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -117.71 95.57 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 65' ' ' PRO . . . -127.33 -131.82 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 64' ' ' GLY . 54.6 Cg_endo -69.76 -21.64 33.22 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.262 . . . . 0.0 112.419 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' PRO . 64.6 m -36.23 -52.08 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.2 p -138.23 171.68 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.07 -0.85 . . . . 0.0 112.497 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -152.93 126.19 8.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -75.13 151.19 38.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.24 67.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.534 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -97.22 90.26 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -76.42 -57.32 3.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.53 -109.32 3.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.85 114.95 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.31 152.43 23.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 167.33 24.7 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.719 2.279 . . . . 0.0 112.306 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -96.25 48.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -102.72 105.51 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -158.83 123.19 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 14' ' ' ASN . 13.6 t30 51.08 44.5 28.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -128.61 -50.37 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -43.48 -51.71 6.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.5 176.43 9.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.5 t -66.43 140.09 58.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.41 31.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' A' ' 38' ' ' LEU . 87.7 t -126.4 -47.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -117.07 -31.0 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 58.89 42.28 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.94 -33.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.69 153.91 17.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m -78.7 126.11 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG12 ' C ' ' A' ' 38' ' ' LEU . 2.9 m -65.51 110.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.63 ' HA ' HD12 ' A' ' 62' ' ' LEU . 50.2 t30 -120.61 41.45 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 66.4 m95 -152.05 148.06 27.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' CE2' ' A' ' 60' ' ' PHE . 20.1 m -113.88 144.83 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD11 HD12 ' A' ' 38' ' ' LEU . 74.1 mt -108.24 74.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.2 mt -63.09 157.63 60.79 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' ARG . 54.0 Cg_endo -69.81 -46.03 0.39 Allowed 'Cis proline' 0 C--O 1.231 0.134 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.325 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -30.39 -38.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' PRO . 11.3 ttm180 56.85 54.98 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -103.52 103.27 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -70.16 83.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -134.74 38.62 3.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 43' ' ' VAL . 45.5 mt -159.34 128.86 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 m -68.96 179.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.572 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.34 -26.23 51.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 -42.64 2.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.56 -30.78 70.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.474 ' HA ' HD13 ' A' ' 38' ' ' LEU . 7.2 p -55.26 -33.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -17.55 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -58.6 -37.56 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -128.22 132.11 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -83.18 20.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -151.75 156.46 40.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 29.3 t -68.66 122.93 86.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 7.8 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.2 mtm -120.41 -65.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -89.03 -20.06 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 41.6 mmm-85 62.97 44.36 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -96.83 126.58 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -45.91 106.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.84 108.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -90.74 -41.18 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -139.75 145.21 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.7 m -146.95 140.73 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.525 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.9 p90 -142.68 158.45 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.86 127.7 34.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 27' ' ' ASN . 18.9 mt -48.94 -64.05 0.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.1 t -115.22 124.84 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.85 125.45 1.59 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 94.76 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.5 p -93.18 81.85 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.4 p -66.27 -30.25 70.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.402 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -116.79 148.17 41.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -149.63 169.32 21.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.74 43.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -91.75 155.79 18.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -79.72 153.07 29.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.52 -114.35 3.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.16 73.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -128.68 150.76 75.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 170.41 16.72 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' GLU . 39.6 m -98.44 48.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' SER . 1.2 tp10 34.19 38.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' SER . 43.7 mt-10 -47.68 132.1 14.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -168.56 175.42 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.9 p -87.54 -59.01 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 9.5 ptpp? -48.65 -31.83 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -82.34 167.47 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.708 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.2 t -55.09 167.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.14 -36.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.723 HG11 ' CE1' ' A' ' 46' ' ' PHE . 29.3 m -62.39 -31.98 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.34 -43.87 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 63.61 39.86 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -128.42 -35.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.66 160.59 13.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -80.39 131.83 35.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 16' ' ' LYS . 2.7 m -78.29 121.95 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -127.76 33.7 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.504 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.9 m95 -144.42 136.59 26.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.622 HG21 ' CE2' ' A' ' 60' ' ' PHE . 19.0 m -100.95 143.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 38' ' ' LEU . 40.8 mt -105.54 71.21 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.516 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.0 mt -59.81 156.98 31.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.4 Cg_endo -69.81 -44.09 0.55 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.258 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -30.39 -40.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' PRO . 42.6 ttp180 63.21 55.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -106.92 110.76 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.487 ' CG2' HG12 ' A' ' 29' ' ' VAL . 37.6 p -83.64 78.45 9.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 p -130.52 34.29 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 30' ' ' LEU . 95.7 mt -153.73 106.61 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.41 168.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 8.4 p-10 -54.25 -19.01 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.18 -17.22 16.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.515 ' HB3' HG21 ' A' ' 20' ' ' VAL . 26.4 m -93.63 -26.23 17.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.448 HG23 HD21 ' A' ' 30' ' ' LEU . 9.4 p -58.67 -22.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.179 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -30.47 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.73 -35.22 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.723 ' CE1' HG11 ' A' ' 20' ' ' VAL . 6.9 m-85 -120.6 94.62 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -51.97 -17.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.425 ' HA ' HG23 ' A' ' 56' ' ' VAL . 8.1 mt-30 -122.64 166.95 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' ARG . 18.1 t -80.23 119.57 76.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 0.0 110.98 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 7.36 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mtm -111.11 -53.71 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 17.0 p -106.04 -13.76 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' CYS . 10.6 mmt85 57.8 47.99 14.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -105.09 120.5 41.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -41.69 114.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 48' ' ' GLN . 73.3 t -70.52 101.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 9.0 pt20 -83.59 -32.49 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.1 pt-20 -148.31 143.87 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.7 p -143.68 122.68 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.622 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.4 p90 -124.27 151.92 43.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . . . -84.22 117.95 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ALA . 29.8 mt -33.39 -49.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.2 p -48.87 102.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.78 155.64 21.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 89.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.214 . . . . 0.0 112.373 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' SER . 22.8 t -106.93 167.11 10.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' SER . 12.6 t -36.57 -61.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.499 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 t 63.35 42.91 6.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 m -45.6 110.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.23 143.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -76.77 169.39 18.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 p -112.33 98.06 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.5 -106.63 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.8 p -173.87 147.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -54.68 151.53 14.78 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.586 0.708 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -29.17 24.18 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 0.0 112.407 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 t 69.9 54.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.39 146.03 26.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -122.04 158.62 28.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -146.95 144.37 29.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -99.35 130.49 45.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 42.74 3.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.93 149.33 44.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.626 ' SG ' HG22 ' A' ' 20' ' ' VAL . 13.7 t -65.83 164.07 15.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 37' ' ' CYS . 28.0 m -120.07 -38.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.626 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.2 m -63.2 -33.85 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.0 p -125.04 -26.85 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 43.15 39.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -125.82 -38.01 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.26 164.59 15.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 25' ' ' THR . 15.1 t -83.94 123.15 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.5 m -73.33 123.04 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -127.32 32.53 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' O ' HG22 ' A' ' 36' ' ' THR . 74.6 m95 -145.78 153.27 40.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG12 ' CG2' ' A' ' 36' ' ' THR . 31.0 m -120.53 146.54 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.602 ' HB3' HG22 ' A' ' 56' ' ' VAL . 24.7 mt -105.83 73.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 8.1 mt -61.18 157.88 40.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.595 0.712 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.1 Cg_endo -69.67 -45.5 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.4 -0.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.6 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' PRO . 7.8 ttm105 59.97 55.06 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -103.63 108.76 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.551 ' CG2' HG12 ' A' ' 29' ' ' VAL . 32.8 p -78.58 81.42 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.543 ' HB2' HG22 ' A' ' 19' ' ' VAL . 21.2 p -129.98 28.84 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 30' ' ' LEU . 89.2 mt -150.02 127.6 11.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLY . 55.7 m -71.08 169.71 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 p-10 -42.32 -24.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -100.98 -55.46 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 20' ' ' VAL . 17.2 m -47.7 -22.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.68 -36.22 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -92.73 -18.31 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.456 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 5.2 m-85 -57.78 -39.92 78.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.61 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -131.15 94.04 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -44.37 -21.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' PHE . 30.1 mt-30 -110.86 171.49 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 12.8 t -84.36 121.31 75.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.43 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 mtp -116.82 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -98.56 -19.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.0 mmt180 65.43 43.85 3.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -99.66 130.58 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -52.13 105.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 30' ' ' LEU . 98.0 t -63.69 101.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -85.35 -41.35 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -136.22 144.44 44.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 t -146.93 123.9 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.8 p90 -126.21 148.48 49.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 119.24 21.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 36' ' ' THR . 45.2 mt -38.32 -59.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 t -129.18 159.48 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.96 153.44 24.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 119.83 6.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 t -117.09 149.02 41.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.5 t -99.86 99.4 10.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.474 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -121.75 -48.6 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -152.95 162.81 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.98 71.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -111.05 122.58 48.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 t -168.36 135.17 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.32 58.21 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.434 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 8' ' ' VAL . 29.9 m -103.18 105.65 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -151.46 152.49 30.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.734 0.778 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 172.41 12.69 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 t -91.84 52.98 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -151.16 153.71 35.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -103.86 145.66 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -121.62 84.09 2.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 m -125.74 -50.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 44.29 41.78 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -132.48 141.25 48.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.21 147.49 44.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.25 -26.87 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.68 HG21 ' CE1' ' A' ' 46' ' ' PHE . 42.3 t -63.0 -56.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -101.82 -36.63 8.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 64.57 42.46 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -134.39 -44.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.65 158.35 20.87 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -81.4 131.39 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -76.73 115.89 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.39 39.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.603 ' O ' HG22 ' A' ' 36' ' ' THR . 67.6 m95 -148.6 140.13 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG21 ' CE2' ' A' ' 60' ' ' PHE . 21.3 m -104.69 139.34 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 25.0 mt -101.73 76.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.4 mt -61.93 156.16 58.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.4 Cg_endo -69.69 -47.84 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.365 -0.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.501 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -29.5 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.4 ttp180 61.4 54.73 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -104.39 112.53 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 28' ' ' TRP . 24.1 p -81.29 84.4 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -133.79 35.33 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.2 mt -154.24 115.54 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -56.03 165.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.511 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.0 p-10 -41.83 -29.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.48 -53.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 9.8 m -47.66 -22.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.347 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 40' ' ' ASP . 14.7 p -56.54 -36.7 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -88.38 -18.97 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.404 ' CD1' ' HA ' ' A' ' 42' ' ' CYS . 5.3 m-85 -59.6 -37.58 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 m-85 -126.74 130.86 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.36 16.73 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -156.36 135.03 11.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.8 t -47.32 116.8 4.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.26 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mtm -114.06 -62.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -93.26 -20.97 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.7 mmm-85 64.88 52.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.93 119.92 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.44 110.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.58 105.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.453 ' CD ' ' OE1' ' A' ' 58' ' ' GLU . 14.4 pt20 -90.68 -33.62 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 3.9 pt-20 -145.02 142.1 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.3 p -147.17 129.58 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 6.1 p90 -132.9 148.87 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.597 ' HB2' ' CE2' ' A' ' 28' ' ' TRP . . . -84.03 120.39 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 36' ' ' THR . 23.6 mt -45.43 -61.25 1.75 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -124.71 105.65 9.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 66' ' ' SER . . . -179.12 152.98 11.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.5 Cg_endo -69.64 13.94 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.513 ' C ' ' O ' ' A' ' 65' ' ' PRO . 2.9 m -28.87 -62.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.787 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -77.18 -66.02 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.462 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t -173.04 131.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -165.29 170.17 15.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.54 148.61 20.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -65.31 98.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -125.62 43.31 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.23 -39.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 8' ' ' VAL . 29.2 m -101.36 106.68 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -92.75 153.26 42.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 178.43 4.56 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.393 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -98.2 45.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -101.54 36.53 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -120.74 163.78 17.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -47.9 146.95 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -98.14 -53.73 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -79.38 44.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -104.2 176.03 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.38 130.89 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 19' ' ' VAL . 10.8 m -96.77 33.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 38' ' ' LEU . 77.4 t -126.67 -56.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -105.56 -32.96 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 61.37 44.49 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -132.52 -38.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.53 162.06 12.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -87.29 128.09 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.342 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.49 HG12 ' C ' ' A' ' 38' ' ' LEU . 13.9 m -69.32 127.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -131.97 35.28 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.8 m95 -144.75 138.47 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.557 HG12 ' CG2' ' A' ' 36' ' ' THR . 20.3 m -105.59 130.02 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 80.2 mt -92.46 79.98 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.683 HD11 ' CE2' ' A' ' 60' ' ' PHE . 6.1 mt -64.09 158.31 64.22 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.77 -48.28 0.28 Allowed 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.72 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.8 ttt180 62.4 54.54 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 51' ' ' MET . 63.5 m170 -103.71 107.27 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.557 ' CG2' HG12 ' A' ' 29' ' ' VAL . 41.5 p -77.65 86.5 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.9 36.62 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.49 ' C ' HG12 ' A' ' 26' ' ' VAL . 56.1 mt -155.76 121.44 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.8 m -61.71 162.25 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.543 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-20 -42.32 -26.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 -49.12 2.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.423 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 m -59.24 -16.58 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 40' ' ' ASP . 7.6 p -58.04 -45.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -86.33 -15.59 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.89 -39.09 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -128.79 125.95 38.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -79.64 32.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HA ' HG23 ' A' ' 56' ' ' VAL . 26.9 mt-30 -158.61 174.79 14.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 16.6 t -87.18 120.19 71.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.82 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 8.72 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.416 ' HE2' ' HB3' ' A' ' 35' ' ' HIS . 8.3 mtm -119.24 -63.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.0 p -97.23 -16.06 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmm180 62.59 46.04 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.05 127.26 42.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -45.18 112.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' ' 48' ' ' GLN . 89.8 t -72.97 107.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.493 ' NE2' ' OE1' ' A' ' 58' ' ' GLU . 17.5 pt20 -95.3 -34.01 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.493 ' OE1' ' NE2' ' A' ' 57' ' ' GLN . 2.6 pt-20 -143.93 145.32 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.6 m -148.66 128.95 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.683 ' CE2' HD11 ' A' ' 31' ' ' LEU . 5.3 p90 -131.46 146.54 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.18 122.93 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 mt -36.9 -57.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -57.57 108.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 66' ' ' SER . . . -51.7 -173.07 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 10.4 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.638 2.225 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 64' ' ' GLY . 20.1 m -85.67 83.25 7.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.1 t -110.58 -46.85 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.41 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -141.36 144.2 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 4' ' ' GLY . 92.0 p -88.67 176.86 6.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.41 119.71 0.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -87.93 97.23 10.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -71.68 133.36 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -162.11 -93.38 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 8' ' ' VAL . 11.7 m -60.94 76.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 7' ' ' GLY . 18.2 pt-20 -152.96 139.18 12.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.737 2.291 . . . . 0.0 112.313 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.5 m 66.04 47.01 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.812 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.46 141.73 28.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -106.83 138.44 43.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -131.73 110.81 11.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.1 m -98.74 111.09 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.783 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -113.63 41.86 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -149.85 177.2 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.709 ' SG ' HG22 ' A' ' 20' ' ' VAL . 14.7 t -59.64 165.1 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.85 -36.75 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.709 HG22 ' SG ' ' A' ' 18' ' ' CYS . 17.0 m -61.68 -33.35 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -124.41 -41.92 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 61.92 43.76 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -129.56 -39.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.77 162.44 14.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 25' ' ' THR . 8.6 t -82.81 124.63 30.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 m -73.37 126.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -130.45 30.61 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' THR . 79.9 m95 -142.47 141.88 32.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.56 HG12 ' CG2' ' A' ' 36' ' ' THR . 25.8 m -109.03 137.74 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 HD12 ' A' ' 38' ' ' LEU . 48.4 mt -97.68 76.43 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.4 mt -66.01 157.85 78.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.54 0.685 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -47.02 0.33 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.326 -0.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.33 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' PRO . 58.4 ttp85 64.31 55.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -106.74 99.04 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.56 ' CG2' HG12 ' A' ' 29' ' ' VAL . 32.4 p -70.62 82.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 p -131.11 32.56 4.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD12 HD11 ' A' ' 30' ' ' LEU . 93.8 mt -152.22 117.39 5.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.15 178.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.6 -15.17 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.75 -40.16 1.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 20' ' ' VAL . 11.4 m -65.43 -14.2 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.47 -31.66 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -94.39 -14.04 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.28 -36.11 83.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.542 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -130.51 96.39 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -47.63 -19.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -115.72 168.35 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.3 t -81.78 120.78 78.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 7.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.6 mtp -116.2 -59.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -97.73 -21.26 17.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 65.27 46.38 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -102.98 122.38 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -44.29 107.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.72 104.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -90.02 -32.41 16.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -145.49 144.87 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.7 p -148.06 122.1 9.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 3.3 p90 -122.09 156.72 32.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.0 127.89 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.1 mt -42.18 -47.11 4.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.7 p -103.24 123.67 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.45 118.01 4.29 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -23.2 31.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.5 p -117.2 99.99 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.2 p -59.5 154.11 18.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.495 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -72.04 109.19 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -148.85 146.8 28.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.4 146.28 18.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.526 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -135.69 126.83 28.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -71.16 131.3 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.56 -44.14 97.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.399 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' VAL . 34.9 m -122.06 115.96 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -47.17 150.46 1.46 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -17.51 37.68 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.737 2.292 . . . . 0.0 112.373 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 m 68.3 48.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -167.35 125.31 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -125.88 130.16 50.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -78.2 46.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' LYS . 5.6 p -91.51 -58.65 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.794 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' SER . 7.6 ptmt 35.59 41.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -120.44 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.667 ' SG ' HG22 ' A' ' 20' ' ' VAL . 38.4 t -168.46 164.49 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.418 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 33.7 m -109.75 -36.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.667 HG22 ' SG ' ' A' ' 18' ' ' CYS . 18.2 m -74.31 -35.19 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -127.91 -19.13 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.441 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 4.9 pt20 39.36 35.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -118.81 -29.98 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -113.05 166.49 12.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -84.38 129.58 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.488 HG12 ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -77.93 112.58 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -124.15 39.51 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 81.1 m95 -152.17 120.98 6.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 36' ' ' THR . 20.9 m -88.72 139.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.673 HD11 HD12 ' A' ' 38' ' ' LEU . 53.3 mt -100.66 76.37 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -61.11 157.55 41.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.75 -47.01 0.33 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.336 -0.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.515 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -42.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' PRO . 38.8 ttp180 65.67 54.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -107.46 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 29' ' ' VAL . 11.3 p -85.29 79.76 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.167 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 22.2 p -127.19 33.03 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 30' ' ' LEU . 91.8 mt -155.97 115.43 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 57.2 m -53.16 175.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.813 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.577 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.9 p30 -46.98 -32.72 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.25 -54.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.562 ' HB3' HG21 ' A' ' 20' ' ' VAL . 27.9 m -46.14 -24.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 40' ' ' ASP . 13.4 p -56.66 -38.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' VAL . 13.2 pttt -88.98 -16.98 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.7 m-85 -60.6 -38.26 84.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -129.75 93.46 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -42.91 -22.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' PHE . 44.5 mt-30 -110.76 170.3 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 17.1 t -84.66 121.22 74.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.63 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 mtp -114.41 -60.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.91 -21.78 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 18.1 mmm180 64.97 51.45 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -110.83 127.54 55.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -45.95 116.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.82 103.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 4.6 pt20 -87.5 -32.53 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 8.5 pt-20 -145.49 148.14 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -148.27 123.87 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.1 p90 -129.53 139.72 51.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.95 133.36 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mt -48.57 -52.73 21.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 t -80.66 49.54 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 47.23 -154.59 1.05 Allowed Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.25 68.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 t -69.96 83.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 m -128.87 172.65 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-O 119.052 -0.86 . . . . 0.0 112.521 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -50.72 142.47 11.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 p -118.41 126.05 51.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.62 101.03 0.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -145.34 147.2 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.351 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p 39.28 43.27 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.94 -178.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 m -68.93 78.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -54.19 152.94 10.22 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.29 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.5 m -86.46 43.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -92.58 28.42 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -146.19 156.98 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -82.2 92.16 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -109.87 28.77 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -91.35 40.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -131.54 154.95 48.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t -72.66 136.95 45.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.2 m -103.64 33.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.54 -47.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.5 -37.07 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 63.95 44.1 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -134.19 -33.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.27 156.83 15.4 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -80.76 136.86 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG12 ' C ' ' A' ' 38' ' ' LEU . 9.6 m -81.21 121.83 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -129.3 38.23 3.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.1 m95 -145.78 137.12 24.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG12 HG23 ' A' ' 36' ' ' THR . 33.8 m -101.42 131.82 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 71.5 mt -92.33 71.48 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.507 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.0 mt -58.92 158.19 17.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.537 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.8 -46.54 0.36 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.607 -1.83 . . . . 0.0 112.367 -0.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -26.99 -43.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.8 ttp180 67.58 54.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -110.13 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 28' ' ' TRP . 14.3 p -81.34 84.43 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 p -133.79 37.48 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' C ' HG12 ' A' ' 26' ' ' VAL . 44.5 mt -158.22 117.37 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -56.08 166.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.626 ' O ' HG12 ' A' ' 43' ' ' VAL . 5.2 t70 -42.95 -33.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.33 -48.99 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -53.66 -22.25 8.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 40' ' ' ASP . 10.1 p -57.51 -34.56 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -90.07 -21.28 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -55.83 -41.9 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -120.97 129.37 53.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -87.45 16.61 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -156.17 133.43 10.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -45.97 116.94 3.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 7.93 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.63 2.22 . . . . 0.0 112.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.6 mtm -116.3 -64.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.88 -19.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmm180 66.54 43.82 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -97.43 126.74 42.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -48.47 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.21 106.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -96.23 -33.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 31' ' ' LEU . 7.7 pt-20 -144.44 147.12 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.7 p -148.79 124.29 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 4.5 p90 -123.98 147.66 47.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.23 129.24 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 mt -47.91 -63.69 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t 51.1 43.28 29.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' A' ' 66' ' ' SER . . . -62.76 178.59 5.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.456 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 9.45 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.72 2.28 . . . . 0.0 112.289 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 64' ' ' GLY . 2.5 t -105.17 114.8 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.7 m -39.27 125.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.523 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 p -174.89 169.39 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -170.33 173.09 5.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -160.51 -137.71 2.27 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.528 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.1 m -36.15 113.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -94.45 41.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.13 160.82 9.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t -143.71 129.55 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.359 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -44.09 152.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -177.57 1.94 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.757 2.305 . . . . 0.0 112.322 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -104.02 42.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -137.76 124.19 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -54.42 140.13 34.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -115.72 116.64 28.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -121.8 26.11 8.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -127.51 43.56 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -169.04 159.32 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.69 ' SG ' HG22 ' A' ' 20' ' ' VAL . 13.4 t -65.31 166.37 10.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.16 -31.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.747 HG11 ' CE1' ' A' ' 46' ' ' PHE . 15.4 m -67.8 -34.62 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -118.99 -38.01 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 56.57 40.54 29.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -132.86 -34.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -159.8 29.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.9 m -120.29 122.63 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.782 0.325 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 18' ' ' CYS . 4.0 m -67.95 119.71 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 14.5 t-20 -133.77 41.23 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.5 m95 -155.64 114.32 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.48 ' HB ' ' CG ' ' A' ' 34' ' ' ARG . 17.1 m -83.72 134.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD11 HD12 ' A' ' 38' ' ' LEU . 75.2 mt -96.02 81.42 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -65.64 157.12 80.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 0.0 110.931 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.6 Cg_endo -69.7 -47.82 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.764 -1.765 . . . . 0.0 112.303 -0.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.497 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.4 ttt180 62.27 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -104.29 95.95 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.553 HG23 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -70.31 76.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HA ' HG11 ' A' ' 26' ' ' VAL . 2.4 m -122.14 31.48 6.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 30' ' ' LEU . 96.9 mt -149.67 120.89 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.28 165.36 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.561 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 5.6 p-10 -49.27 -20.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 44' ' ' LYS . . . -105.7 -22.14 8.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' HB3' HG21 ' A' ' 20' ' ' VAL . 35.3 m -83.28 -36.79 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.834 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.485 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 12.6 p -51.36 -21.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 45' ' ' TYR . 3.2 pttm -93.99 -27.97 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.3 m-85 -64.37 -28.92 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.747 ' CE1' HG11 ' A' ' 20' ' ' VAL . 1.3 m-85 -127.31 130.42 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -82.39 -19.29 39.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' HA ' HG23 ' A' ' 56' ' ' VAL . 27.3 mt-30 -118.37 168.99 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 22.5 t -73.97 120.73 82.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.528 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.6 Cg_endo -69.81 11.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.406 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.1 mtm -119.68 -60.73 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -100.04 -14.13 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.2 mmt180 62.77 49.92 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -101.27 126.49 48.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.51 108.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 48' ' ' GLN . 91.4 t -67.8 99.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 10.3 pt20 -85.85 -35.08 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 5.3 pt-20 -145.77 146.42 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m -148.44 150.22 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -153.84 153.54 32.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB1' ' OD1' ' A' ' 27' ' ' ASN . . . -81.62 129.95 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.3 mt -45.06 -42.84 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 t -109.5 141.2 42.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -38.08 123.1 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 2.61 3.39 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.638 2.225 . . . . 0.0 112.333 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.7 p -85.92 134.96 33.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 t -66.52 -47.02 74.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.492 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -49.36 114.87 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -113.3 121.77 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.802 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.06 132.98 7.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.428 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m 56.52 40.28 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -104.21 145.74 29.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.6 -60.86 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 p -174.75 145.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.329 . . . . 0.0 111.124 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.506 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 5.5 tt0 -41.28 141.69 1.04 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.506 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.3 Cg_endo -69.76 125.46 12.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.613 2.209 . . . . 0.0 112.285 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 p -78.83 55.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.761 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.79 119.56 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -108.63 161.39 15.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -84.21 42.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.2 p -63.65 -47.78 79.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -108.85 63.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -115.95 173.36 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.702 ' SG ' HG22 ' A' ' 20' ' ' VAL . 22.4 t -60.9 162.21 7.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 37' ' ' CYS . 35.9 m -120.71 -38.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.702 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.9 m -59.51 -33.25 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.0 p -127.51 -26.37 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 44.5 39.04 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -122.84 -40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.46 164.18 13.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t -81.31 131.11 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 36' ' ' THR . 30.1 m -82.62 126.31 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -131.49 32.47 4.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.644 ' C ' HG23 ' A' ' 36' ' ' THR . 74.6 m95 -147.23 117.76 7.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG12 ' OG1' ' A' ' 36' ' ' THR . 23.0 m -87.7 143.33 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 38' ' ' LEU . 39.7 mt -102.54 79.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 32' ' ' PRO . 19.7 mt -63.2 158.46 55.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.582 ' O ' HD23 ' A' ' 31' ' ' LEU . 54.0 Cg_endo -69.67 -48.17 0.28 Allowed 'Cis proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.383 -0.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.514 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.19 -41.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' PRO . 32.5 ttt180 69.11 52.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -102.6 103.63 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.644 HG23 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -77.82 46.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB2' HG22 ' A' ' 19' ' ' VAL . 25.6 p -92.77 39.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 30' ' ' LEU . 99.4 mt -156.6 120.76 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.38 165.48 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 4.9 p-10 -41.03 -29.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.53 -44.29 2.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB3' HG21 ' A' ' 20' ' ' VAL . 9.4 m -58.85 -28.47 66.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.872 0.367 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.458 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 6.2 p -50.61 -34.1 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -94.95 -17.27 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -59.34 -42.7 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.47 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -125.05 97.62 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.837 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -45.97 -23.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -110.95 162.95 14.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.7 t -73.29 118.24 67.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.2 Cg_endo -69.81 8.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.2 mtm -117.64 -60.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.39 -18.3 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmt180 66.02 46.19 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -103.91 127.71 51.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -49.72 111.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 30' ' ' LEU . 91.6 t -68.77 104.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -88.77 -39.12 14.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' A' ' 31' ' ' LEU . 9.1 pt-20 -139.76 141.36 36.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -145.41 133.2 21.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.8 p90 -134.4 161.52 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.65 116.54 28.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.4 mt -40.24 -45.11 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.6 t -83.22 90.76 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.04 -157.36 26.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 93.96 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.281 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -95.25 99.25 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 m -157.1 170.73 21.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.43 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.421 ' HB2' HG13 ' A' ' 26' ' ' VAL . 53.2 t . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.869 0.366 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 m -93.88 22.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.406 HG21 ' CE1' ' A' ' 46' ' ' PHE . 88.1 t -118.81 -52.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.59 -15.21 11.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 39.28 37.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -119.3 -35.62 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.17 161.53 12.65 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 25' ' ' THR . 8.3 t -84.02 123.23 29.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 36' ' ' THR . 5.1 m -68.28 122.13 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -129.68 39.84 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 75.7 m95 -150.25 133.83 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.695 HG21 ' CE2' ' A' ' 60' ' ' PHE . 33.5 m -98.2 141.77 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 36.8 mt -101.97 79.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.515 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.0 mt -61.63 157.28 48.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.952 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.67 -47.75 0.3 Allowed 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.344 -0.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.86 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttp85 67.16 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 52.0 m170 -101.37 128.85 47.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.472 ' CG2' HG12 ' A' ' 29' ' ' VAL . 69.2 p -100.6 80.31 2.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.4 m -131.36 27.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.2 mt -145.94 112.28 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 41' ' ' GLY . 34.6 m -53.84 162.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.1 m-20 -42.78 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 39' ' ' CYS . . . -100.72 -46.08 1.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 m -61.13 -15.53 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.97 -32.33 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -91.29 -20.94 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -56.83 -44.74 82.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.406 ' CE1' HG21 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -120.62 114.79 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -61.53 -19.55 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.56 176.65 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 16.8 t -84.34 124.98 73.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 9.03 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtm -122.14 -61.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.28 -16.62 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 44.9 mmm-85 58.23 50.46 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -104.84 126.84 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -43.71 110.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.31 106.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -92.37 -33.38 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.491 ' HG3' HD13 ' A' ' 31' ' ' LEU . 3.1 pt-20 -144.35 147.66 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -147.88 133.61 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.695 ' CE2' HG21 ' A' ' 29' ' ' VAL . 8.6 p90 -137.91 150.51 47.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.72 132.7 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -88.59 16.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 38' ' ' LEU . 99.4 t -110.68 -40.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.22 -16.82 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 44.2 40.12 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.3 -46.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.48 30.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.9 m -97.69 110.36 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.151 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 36' ' ' THR . 7.0 m -57.13 113.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -123.44 37.08 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.482 ' O ' HG22 ' A' ' 36' ' ' THR . 79.9 m95 -145.72 133.48 21.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.601 HG12 HG23 ' A' ' 36' ' ' THR . 18.6 m -100.24 138.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.672 ' HB3' HG22 ' A' ' 56' ' ' VAL . 12.9 mt -99.28 71.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.1 mt -55.28 156.64 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 110.992 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.8 -44.61 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.359 -0.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.484 ' SG ' ' CG ' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -31.53 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' PRO . 12.9 ttp-105 61.89 55.03 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 57.3 m170 -105.43 112.2 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.601 HG23 HG12 ' A' ' 29' ' ' VAL . 23.6 p -84.15 82.12 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.32 32.22 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' C ' HG12 ' A' ' 26' ' ' VAL . 71.5 mt -155.04 118.27 4.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.71 173.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 t0 -59.39 -11.61 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.23 -30.7 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.9 m -82.19 -10.98 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.08 -30.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -90.74 -17.05 27.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.66 -37.44 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -128.9 94.31 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.934 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -20.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -112.35 164.61 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 30' ' ' LEU . 16.6 t -76.36 119.83 79.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 9.67 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.3 mtm -119.15 -56.57 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -100.97 -14.28 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.3 mmt85 59.72 47.7 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -104.49 130.62 52.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.05 108.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.672 HG22 ' HB3' ' A' ' 30' ' ' LEU . 73.7 t -67.66 101.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.8 pt20 -85.74 -39.71 16.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 4.0 pt-20 -139.51 140.94 37.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -140.96 122.36 14.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -124.39 150.68 45.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.15 136.62 35.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.476 HD11 HG21 ' A' ' 36' ' ' THR . 18.6 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.842 0.354 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 m -93.51 21.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.1 t -119.88 -46.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.1 p -124.37 -6.87 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.506 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 29.73 46.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -125.62 -38.14 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.64 175.55 21.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.1 m -97.99 113.0 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 36' ' ' THR . 9.4 m -61.17 113.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.764 ' HA ' HD12 ' A' ' 62' ' ' LEU . 37.2 t30 -123.25 32.74 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.7 m95 -141.77 135.61 29.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.697 HG12 HG23 ' A' ' 36' ' ' THR . 26.6 m -101.64 143.48 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 49' ' ' CYS . 54.4 mt -103.68 71.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD13 ' HG3' ' A' ' 58' ' ' GLU . 9.7 mt -54.61 157.96 4.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.8 Cg_endo -69.85 -45.79 0.4 Allowed 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.279 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.1 p -28.74 -40.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 19.2 ttp-105 65.09 54.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -107.75 119.57 39.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.793 HG21 HD11 ' A' ' 62' ' ' LEU . 37.5 p -90.88 81.23 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.05 29.41 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' HG12 ' A' ' 26' ' ' VAL . 32.1 mt -149.89 119.65 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 m -58.46 169.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.1 t70 -49.26 -19.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 -53.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.3 m -55.22 -17.09 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.0 p -62.68 -34.03 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -91.77 -15.0 28.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.71 -40.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.49 134.32 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -83.72 32.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.537 ' HA ' HG23 ' A' ' 56' ' ' VAL . 12.7 mt-30 -158.77 171.78 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HA ' HD13 ' A' ' 30' ' ' LEU . 11.9 t -84.52 119.81 73.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 9.73 0.56 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.4 mtm -118.16 -62.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.8 p -96.77 -16.43 20.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.1 mmt85 63.49 45.9 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -101.33 129.16 47.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -47.01 115.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 48' ' ' GLN . 93.7 t -73.55 107.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -89.17 -36.97 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HG3' HD13 ' A' ' 31' ' ' LEU . 3.6 pt-20 -144.21 148.5 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -147.17 136.08 22.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.9 p90 -141.41 155.44 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.69 130.59 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.793 HD11 HG21 ' A' ' 36' ' ' THR . 14.6 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.895 0.379 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 37' ' ' CYS . 19.4 m -94.58 27.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.59 -54.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.59 -17.82 13.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 40.96 36.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.68 -32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.84 -158.45 29.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.5 m -130.63 100.73 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.912 ' HB ' HG22 ' A' ' 36' ' ' THR . 2.8 m -41.73 119.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.484 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 30.9 t30 -133.39 36.21 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 67.9 m95 -153.44 128.9 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.526 HG13 HD21 ' A' ' 62' ' ' LEU . 27.5 m -94.97 135.93 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 56' ' ' VAL . 48.7 mt -94.94 69.59 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 5.3 mt -53.61 158.51 3.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.5 Cg_endo -69.69 -45.74 0.4 Allowed 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.435 -0.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.4 p -28.5 -41.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.3 ttp-105 66.5 53.28 0.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.8 m170 -107.08 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.912 HG22 ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.41 71.86 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB2' HG22 ' A' ' 19' ' ' VAL . 9.3 p -117.29 33.85 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.432 HD12 HD11 ' A' ' 30' ' ' LEU . 74.5 mt -156.61 116.96 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -58.01 168.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.7 p-10 -44.45 -27.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.08 -51.71 1.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.0 m -54.83 -16.53 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 40' ' ' ASP . 14.2 p -60.03 -37.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -88.65 -19.61 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -56.52 -44.35 80.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.459 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -123.85 103.26 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -52.96 -20.58 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.47 162.87 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 12.4 t -72.37 119.55 75.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 9.35 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.775 2.317 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.7 mtp -119.01 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -95.12 -18.72 20.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.0 mmm180 65.19 51.72 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -109.3 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -42.7 110.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 30' ' ' LEU . 86.2 t -68.86 101.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.28 -37.76 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HG3' HD13 ' A' ' 31' ' ' LEU . 4.5 pt-20 -143.23 145.45 32.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -147.8 122.62 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.8 p90 -127.3 149.76 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.08 133.36 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 29' ' ' VAL . 19.5 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.586 ' SG ' HG22 ' A' ' 20' ' ' VAL . 12.1 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.972 0.415 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 37' ' ' CYS . 30.0 m -120.92 -38.4 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.586 HG22 ' SG ' ' A' ' 18' ' ' CYS . 11.8 m -61.22 -35.8 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -123.76 -22.79 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 40.63 36.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -119.3 -40.93 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.08 163.69 13.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.421 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -79.75 138.02 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.413 HG12 ' C ' ' A' ' 38' ' ' LEU . 7.5 m -87.35 123.19 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -126.71 34.76 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.584 ' O ' HG22 ' A' ' 36' ' ' THR . 68.5 m95 -147.02 148.54 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.583 HG12 ' CG2' ' A' ' 36' ' ' THR . 32.8 m -113.35 145.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 mt -105.89 72.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.3 mt -60.42 157.09 37.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.1 Cg_endo -69.75 -45.44 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.309 -0.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -40.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' PRO . 33.2 ttp180 62.32 54.95 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 63.2 m170 -104.57 108.38 19.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 28' ' ' TRP . 29.4 p -80.17 81.92 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB2' HG22 ' A' ' 19' ' ' VAL . 6.0 p -132.84 34.3 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' C ' HG12 ' A' ' 26' ' ' VAL . 62.6 mt -151.51 118.13 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 m -59.72 174.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -59.64 -11.71 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.73 -23.07 5.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.76 -16.04 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.75 -31.44 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -3.85 50.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -77.21 -31.68 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CE2' HG11 ' A' ' 20' ' ' VAL . 2.3 m-85 -131.45 126.38 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.29 0.94 17.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -135.19 175.94 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.5 t -85.92 118.91 71.36 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 10.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.722 2.281 . . . . 0.0 112.381 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.3 mtm -119.71 -54.31 2.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 p -106.26 -12.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.6 mmm180 59.21 48.05 10.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -99.6 127.82 45.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -49.42 109.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.32 103.44 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.404 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 4.2 pt20 -88.65 -32.03 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 5.5 pt-20 -147.38 142.06 26.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -142.31 123.86 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.7 p90 -129.54 143.64 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.26 127.81 33.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 36' ' ' THR . 15.5 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.878 0.371 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 m -106.03 -32.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.18 -52.63 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -106.78 -37.87 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 61.44 45.94 8.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -133.96 -41.2 0.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.16 174.19 27.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.4 m -95.65 115.15 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.305 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.4 m -63.44 113.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -119.9 32.66 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.57 ' O ' HG22 ' A' ' 36' ' ' THR . 87.7 m95 -142.19 138.19 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG12 HG23 ' A' ' 36' ' ' THR . 20.4 m -105.18 139.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 52.2 mt -99.99 72.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -61.34 156.99 47.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.3 Cg_endo -69.71 -44.49 0.5 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.354 -0.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.547 ' SG ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -29.72 -41.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' PRO . 13.8 ttp180 62.71 54.91 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 56.4 m170 -107.04 108.75 20.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 28' ' ' TRP . 17.4 p -80.9 79.47 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 p -127.48 33.4 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt -154.49 119.3 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 m -62.56 172.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -51.69 -16.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.66 -39.19 1.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 m -69.5 -18.01 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.0 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -87.72 -15.53 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.48 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.2 m-85 -63.0 -36.65 84.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -131.48 114.24 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.36 -14.03 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -122.11 161.05 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 19.6 t -73.64 118.37 68.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.63 9.56 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.748 2.298 . . . . 0.0 112.417 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.1 mtm -117.12 -61.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -96.84 -15.04 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.9 mmm180 62.43 46.51 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -101.59 130.43 47.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -52.96 110.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.43 95.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 6.2 pt20 -85.8 -27.89 24.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.7 pt-20 -151.54 142.77 23.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -148.37 122.83 9.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 5.2 p90 -122.8 158.73 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.71 34.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.424 HG22 ' HB3' ' A' ' 37' ' ' CYS . 15.3 m -93.08 16.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 38' ' ' LEU . 88.9 t -110.93 -62.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.61 -30.92 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 60.28 42.5 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -128.92 -42.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.17 163.59 15.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.556 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 25' ' ' THR . 12.9 t -88.75 120.24 29.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.107 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 36' ' ' THR . 9.3 m -63.08 125.85 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -134.94 41.25 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.446 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 79.0 m95 -150.24 130.29 13.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 HG23 ' A' ' 36' ' ' THR . 25.8 m -94.67 128.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 49' ' ' CYS . 83.6 mt -86.92 71.91 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.51 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 14.6 mt -56.34 156.8 10.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.69 -46.07 0.38 Allowed 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.389 -0.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.03 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.8 ttt180 69.5 53.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -105.64 124.84 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.688 HG21 HD11 ' A' ' 62' ' ' LEU . 39.1 p -96.34 81.41 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.424 ' HB3' HG22 ' A' ' 19' ' ' VAL . 22.9 m -132.43 36.32 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 20' ' ' VAL . 81.2 mt -155.81 109.47 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.007 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.6 m -47.72 167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.0 p30 -46.52 -20.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.71 -48.03 1.13 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.3 m -57.44 -15.89 8.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.399 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.9 -37.26 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -87.93 -16.8 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.93 -43.17 99.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -120.05 95.45 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -45.32 -22.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.44 ' HA ' HG23 ' A' ' 56' ' ' VAL . 21.6 mt-30 -112.25 173.36 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HA ' HD13 ' A' ' 30' ' ' LEU . 33.8 t -82.67 122.41 78.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.605 0.717 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 7.3 1.03 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.749 2.3 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.1 mtm -116.02 -61.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.5 p -97.47 -20.04 18.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 12.1 mmm180 62.95 51.35 2.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' PHE . 10.4 tt0 -108.07 120.4 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.1 t80 -34.92 112.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 48' ' ' GLN . 98.6 t -73.54 100.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.467 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 2.5 pt20 -78.02 -34.5 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 12.9 pt-20 -152.17 155.82 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -149.54 124.99 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 3.3 p90 -129.33 150.55 50.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.12 125.2 28.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 36' ' ' THR . 22.0 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.608 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.6 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.981 0.419 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.27 -37.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.71 HG11 ' CE1' ' A' ' 46' ' ' PHE . 16.0 m -61.0 -35.21 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -119.83 -39.36 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 61.34 44.94 9.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.03 -43.12 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.92 168.23 19.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.5 m -87.61 131.81 34.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 36' ' ' THR . 4.2 m -77.96 118.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -124.91 39.47 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 73.8 m95 -150.49 135.76 17.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.497 HG21 ' CE2' ' A' ' 60' ' ' PHE . 27.5 m -98.82 137.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 49' ' ' CYS . 27.7 mt -99.28 70.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 13.5 mt -59.48 157.29 26.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.4 Cg_endo -69.83 -46.25 0.37 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -41.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.4 ttp180 64.43 55.06 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.409 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 67.5 m170 -108.42 107.98 18.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 26' ' ' VAL . 47.0 p -78.77 83.04 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' HD23 ' A' ' 38' ' ' LEU . 7.2 m -132.68 34.4 3.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 50' ' ' PRO . 55.9 mt -152.04 111.66 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.02 171.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -49.19 -29.06 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.83 -44.92 2.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HB3' HG21 ' A' ' 20' ' ' VAL . 32.9 m -58.44 -16.79 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 40' ' ' ASP . 13.3 p -59.81 -33.02 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -93.34 -17.37 23.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -125.89 93.16 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -44.18 -25.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.456 ' HA ' HG23 ' A' ' 56' ' ' VAL . 37.1 mt-30 -110.91 169.36 8.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.437 ' HA ' HD13 ' A' ' 30' ' ' LEU . 41.1 t -78.19 120.43 81.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HG3' HD21 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.82 9.5 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.9 mtm -116.82 -60.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -97.65 -18.38 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 64.14 48.89 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 32' ' ' PRO . 5.4 tt0 -105.82 119.51 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -39.36 115.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' HA ' ' A' ' 48' ' ' GLN . 97.6 t -72.65 106.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -89.45 -37.83 14.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.4 pt-20 -141.63 137.95 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.7 p -139.49 122.06 16.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -128.32 151.09 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.01 128.74 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.728 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.1 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.918 0.389 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.0 -33.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.728 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.7 m -63.14 -33.19 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -118.87 -34.69 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 58.79 33.46 23.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -125.97 -44.34 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.76 176.08 27.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -95.91 148.37 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.839 ' HB ' HG22 ' A' ' 36' ' ' THR . 4.7 m -91.11 123.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 42.6 t30 -132.14 39.29 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 27' ' ' ASN . 80.1 m95 -156.95 115.27 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 m -82.31 136.29 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.767 HD11 HD12 ' A' ' 38' ' ' LEU . 78.1 mt -96.36 80.49 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 32' ' ' PRO . 9.5 mt -65.79 158.37 75.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.5 Cg_endo -69.77 -47.86 0.29 Allowed 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.294 -0.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.61 -43.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttt-85 68.79 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.431 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 61.7 m170 -106.92 99.74 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.839 HG22 ' HB ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -74.3 63.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.0 39.5 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.767 HD12 HD11 ' A' ' 30' ' ' LEU . 96.6 mt -156.38 118.1 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.42 172.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.507 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.9 p-10 -49.04 -29.28 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.3 -47.24 2.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.17 -26.11 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.23 -33.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -94.21 -18.85 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.432 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 4.9 m-85 -59.12 -43.76 91.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -124.72 91.2 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.64 -23.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -113.7 151.03 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.6 t -60.72 118.56 35.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.1 Cg_endo -69.82 9.9 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.259 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.3 mtm -118.93 -63.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.4 p -93.32 -17.64 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmt85 65.21 47.55 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -104.4 127.99 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -49.84 112.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.23 99.35 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.514 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 12.8 pt20 -87.44 -34.37 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.514 ' OE2' ' NE2' ' A' ' 57' ' ' GLN . 7.5 pt-20 -145.38 143.8 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -148.91 140.11 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.4 p90 -139.88 152.33 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' HB1' ' ND2' ' A' ' 27' ' ' ASN . . . -81.66 127.52 32.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.814 0.34 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.37 28.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.446 HG21 ' CE1' ' A' ' 46' ' ' PHE . 77.0 t -125.1 -47.71 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -116.03 -31.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 57.34 43.29 23.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -132.43 -33.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.49 157.52 14.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -83.67 121.91 27.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 ' C ' ' A' ' 38' ' ' LEU . 1.6 m -62.57 111.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.838 ' HA ' HD12 ' A' ' 62' ' ' LEU . 41.8 t30 -120.83 35.63 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.475 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 65.4 m95 -146.89 135.93 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 36' ' ' THR . 28.5 m -101.9 139.51 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.3 mt -98.96 76.15 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 60' ' ' PHE . 6.2 mt -60.12 157.2 33.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.9 Cg_endo -69.85 -45.21 0.44 Allowed 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.325 -0.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.513 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.87 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 32' ' ' PRO . 34.8 ttt180 65.61 54.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.486 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 64.3 m170 -107.24 124.89 50.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.528 HG21 HD11 ' A' ' 62' ' ' LEU . 16.6 p -92.1 85.37 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.3 p -133.43 30.49 3.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' HG12 ' A' ' 26' ' ' VAL . 87.0 mt -153.9 114.38 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -53.96 173.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.475 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.1 p-10 -53.82 -17.46 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.77 -42.95 1.49 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.54 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 m -64.62 -17.93 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -59.51 -31.63 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.47 -22.97 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.99 -42.67 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.5 m-85 -118.17 122.7 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.43 -20.6 62.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.622 ' HA ' HG23 ' A' ' 56' ' ' VAL . 8.8 mt-30 -118.68 174.66 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -81.43 120.78 79.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.699 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 8.5 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.758 2.306 . . . . 0.0 112.37 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.6 mtm -118.31 -59.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -97.29 -16.43 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.4 mmt85 61.27 48.65 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -105.24 124.58 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -42.87 117.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.622 HG23 ' HA ' ' A' ' 48' ' ' GLN . 51.7 t -78.41 100.6 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.462 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 14.6 pt20 -86.17 -31.72 21.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.6 pt-20 -147.47 146.09 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -147.78 125.16 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 31' ' ' LEU . 4.8 p90 -128.55 145.19 51.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.59 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 27' ' ' ASN . 13.3 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.5 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.814 0.34 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.41 31.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' A' ' 38' ' ' LEU . 87.7 t -126.4 -47.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -117.07 -31.0 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 58.89 42.28 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.94 -33.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.69 153.91 17.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m -78.7 126.11 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG12 ' C ' ' A' ' 38' ' ' LEU . 2.9 m -65.51 110.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.63 ' HA ' HD12 ' A' ' 62' ' ' LEU . 50.2 t30 -120.61 41.45 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 66.4 m95 -152.05 148.06 27.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' CE2' ' A' ' 60' ' ' PHE . 20.1 m -113.88 144.83 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.459 HD11 HD12 ' A' ' 38' ' ' LEU . 74.1 mt -108.24 74.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.2 mt -63.09 157.63 60.79 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' ARG . 54.0 Cg_endo -69.81 -46.03 0.39 Allowed 'Cis proline' 0 C--O 1.231 0.134 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.325 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -30.39 -38.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' PRO . 11.3 ttm180 56.85 54.98 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -103.52 103.27 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -70.16 83.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -134.74 38.62 3.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 43' ' ' VAL . 45.5 mt -159.34 128.86 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 m -68.96 179.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.572 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.34 -26.23 51.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 -42.64 2.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.56 -30.78 70.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.474 ' HA ' HD13 ' A' ' 38' ' ' LEU . 7.2 p -55.26 -33.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -17.55 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -58.6 -37.56 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -128.22 132.11 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -83.18 20.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -151.75 156.46 40.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 29.3 t -68.66 122.93 86.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 7.8 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.2 mtm -120.41 -65.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -89.03 -20.06 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 41.6 mmm-85 62.97 44.36 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -96.83 126.58 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -45.91 106.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.84 108.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -90.74 -41.18 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -139.75 145.21 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.7 m -146.95 140.73 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.525 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.9 p90 -142.68 158.45 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.86 127.7 34.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 27' ' ' ASN . 18.9 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.708 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.2 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.855 0.359 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.14 -36.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.723 HG11 ' CE1' ' A' ' 46' ' ' PHE . 29.3 m -62.39 -31.98 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.34 -43.87 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 63.61 39.86 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -128.42 -35.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.66 160.59 13.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -80.39 131.83 35.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 36' ' ' THR . 2.7 m -78.29 121.95 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.45 ' ND2' ' HB1' ' A' ' 61' ' ' ALA . 34.9 t30 -127.76 33.7 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.504 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.9 m95 -144.42 136.59 26.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.622 HG21 ' CE2' ' A' ' 60' ' ' PHE . 19.0 m -100.95 143.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 38' ' ' LEU . 40.8 mt -105.54 71.21 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.516 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.0 mt -59.81 156.98 31.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.4 Cg_endo -69.81 -44.09 0.55 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.258 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.53 ' SG ' ' CG ' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -30.39 -40.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' PRO . 42.6 ttp180 63.21 55.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.53 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 59.4 m170 -106.92 110.76 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.487 ' CG2' HG12 ' A' ' 29' ' ' VAL . 37.6 p -83.64 78.45 9.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 p -130.52 34.29 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 30' ' ' LEU . 95.7 mt -153.73 106.61 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.41 168.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 8.4 p-10 -54.25 -19.01 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.18 -17.22 16.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.515 ' HB3' HG21 ' A' ' 20' ' ' VAL . 26.4 m -93.63 -26.23 17.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG23 HD21 ' A' ' 30' ' ' LEU . 9.4 p -58.67 -22.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.179 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -30.47 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.73 -35.22 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.723 ' CE1' HG11 ' A' ' 20' ' ' VAL . 6.9 m-85 -120.6 94.62 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -51.97 -17.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.425 ' HA ' HG23 ' A' ' 56' ' ' VAL . 8.1 mt-30 -122.64 166.95 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' ARG . 18.1 t -80.23 119.57 76.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 0.0 110.98 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 7.36 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mtm -111.11 -53.71 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 17.0 p -106.04 -13.76 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' CYS . 10.6 mmt85 57.8 47.99 14.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -105.09 120.5 41.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -41.69 114.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 48' ' ' GLN . 73.3 t -70.52 101.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 9.0 pt20 -83.59 -32.49 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.1 pt-20 -148.31 143.87 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.7 p -143.68 122.68 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.622 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.4 p90 -124.27 151.92 43.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.45 ' HB1' ' ND2' ' A' ' 27' ' ' ASN . . . -84.22 117.95 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ALA . 29.8 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.626 ' SG ' HG22 ' A' ' 20' ' ' VAL . 13.7 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 37' ' ' CYS . 28.0 m -120.07 -38.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.626 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.2 m -63.2 -33.85 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.0 p -125.04 -26.85 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 43.15 39.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -125.82 -38.01 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.26 164.59 15.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 25' ' ' THR . 15.1 t -83.94 123.15 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.5 m -73.33 123.04 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -127.32 32.53 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' O ' HG22 ' A' ' 36' ' ' THR . 74.6 m95 -145.78 153.27 40.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG12 ' CG2' ' A' ' 36' ' ' THR . 31.0 m -120.53 146.54 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.602 ' HB3' HG22 ' A' ' 56' ' ' VAL . 24.7 mt -105.83 73.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 8.1 mt -61.18 157.88 40.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.595 0.712 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.1 Cg_endo -69.67 -45.5 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.4 -0.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.6 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' PRO . 7.8 ttm105 59.97 55.06 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -103.63 108.76 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.551 ' CG2' HG12 ' A' ' 29' ' ' VAL . 32.8 p -78.58 81.42 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.543 ' HB2' HG22 ' A' ' 19' ' ' VAL . 21.2 p -129.98 28.84 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 30' ' ' LEU . 89.2 mt -150.02 127.6 11.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLY . 55.7 m -71.08 169.71 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 p-10 -42.32 -24.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -100.98 -55.46 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 20' ' ' VAL . 17.2 m -47.7 -22.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.68 -36.22 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -92.73 -18.31 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.456 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 5.2 m-85 -57.78 -39.92 78.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.61 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -131.15 94.04 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -44.37 -21.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' PHE . 30.1 mt-30 -110.86 171.49 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 12.8 t -84.36 121.31 75.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.43 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 mtp -116.82 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -98.56 -19.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.0 mmt180 65.43 43.85 3.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -99.66 130.58 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -52.13 105.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 30' ' ' LEU . 98.0 t -63.69 101.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -85.35 -41.35 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -136.22 144.44 44.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 t -146.93 123.9 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.8 p90 -126.21 148.48 49.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 119.24 21.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 36' ' ' THR . 45.2 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.889 0.376 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.25 -26.87 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.68 HG21 ' CE1' ' A' ' 46' ' ' PHE . 42.3 t -63.0 -56.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -101.82 -36.63 8.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 64.57 42.46 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -134.39 -44.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.65 158.35 20.87 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -81.4 131.39 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -76.73 115.89 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.39 39.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.603 ' O ' HG22 ' A' ' 36' ' ' THR . 67.6 m95 -148.6 140.13 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG21 ' CE2' ' A' ' 60' ' ' PHE . 21.3 m -104.69 139.34 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 49' ' ' CYS . 25.0 mt -101.73 76.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.4 mt -61.93 156.16 58.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.4 Cg_endo -69.69 -47.84 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.365 -0.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.501 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -29.5 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.4 ttp180 61.4 54.73 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -104.39 112.53 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 28' ' ' TRP . 24.1 p -81.29 84.4 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -133.79 35.33 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.2 mt -154.24 115.54 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -56.03 165.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.511 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.0 p-10 -41.83 -29.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.48 -53.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 9.8 m -47.66 -22.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.347 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 40' ' ' ASP . 14.7 p -56.54 -36.7 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -88.38 -18.97 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.404 ' CD1' ' HA ' ' A' ' 42' ' ' CYS . 5.3 m-85 -59.6 -37.58 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 m-85 -126.74 130.86 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.36 16.73 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -156.36 135.03 11.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.8 t -47.32 116.8 4.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.26 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mtm -114.06 -62.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -93.26 -20.97 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.7 mmm-85 64.88 52.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.93 119.92 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.44 110.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.58 105.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.453 ' CD ' ' OE1' ' A' ' 58' ' ' GLU . 14.4 pt20 -90.68 -33.62 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 3.9 pt-20 -145.02 142.1 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.3 p -147.17 129.58 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.444 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 6.1 p90 -132.9 148.87 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.597 ' HB2' ' CE2' ' A' ' 28' ' ' TRP . . . -84.03 120.39 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 36' ' ' THR . 23.6 mt . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 19' ' ' VAL . 10.8 m -96.77 33.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 38' ' ' LEU . 77.4 t -126.67 -56.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -105.56 -32.96 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 61.37 44.49 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -132.52 -38.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.53 162.06 12.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -87.29 128.09 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.342 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.49 HG12 ' C ' ' A' ' 38' ' ' LEU . 13.9 m -69.32 127.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -131.97 35.28 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.8 m95 -144.75 138.47 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.557 HG12 ' CG2' ' A' ' 36' ' ' THR . 20.3 m -105.59 130.02 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.421 HD11 HD12 ' A' ' 38' ' ' LEU . 80.2 mt -92.46 79.98 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.683 HD11 ' CE2' ' A' ' 60' ' ' PHE . 6.1 mt -64.09 158.31 64.22 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.77 -48.28 0.28 Allowed 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.72 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.8 ttt180 62.4 54.54 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 51' ' ' MET . 63.5 m170 -103.71 107.27 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.557 ' CG2' HG12 ' A' ' 29' ' ' VAL . 41.5 p -77.65 86.5 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.9 36.62 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.49 ' C ' HG12 ' A' ' 26' ' ' VAL . 56.1 mt -155.76 121.44 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.8 m -61.71 162.25 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.543 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-20 -42.32 -26.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 -49.12 2.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.423 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 m -59.24 -16.58 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 40' ' ' ASP . 7.6 p -58.04 -45.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -86.33 -15.59 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.89 -39.09 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -128.79 125.95 38.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -79.64 32.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HA ' HG23 ' A' ' 56' ' ' VAL . 26.9 mt-30 -158.61 174.79 14.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 16.6 t -87.18 120.19 71.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.82 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 8.72 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.416 ' HE2' ' HB3' ' A' ' 35' ' ' HIS . 8.3 mtm -119.24 -63.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.0 p -97.23 -16.06 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmm180 62.59 46.04 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.05 127.26 42.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -45.18 112.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' ' 48' ' ' GLN . 89.8 t -72.97 107.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -95.3 -34.01 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -143.93 145.32 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.6 m -148.66 128.95 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.683 ' CE2' HD11 ' A' ' 31' ' ' LEU . 5.3 p90 -131.46 146.54 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.18 122.93 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.709 ' SG ' HG22 ' A' ' 20' ' ' VAL . 14.7 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.334 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.85 -36.75 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.709 HG22 ' SG ' ' A' ' 18' ' ' CYS . 17.0 m -61.68 -33.35 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -124.41 -41.92 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 61.92 43.76 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -129.56 -39.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.77 162.44 14.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 25' ' ' THR . 8.6 t -82.81 124.63 30.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 m -73.37 126.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -130.45 30.61 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' THR . 79.9 m95 -142.47 141.88 32.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.56 HG12 ' CG2' ' A' ' 36' ' ' THR . 25.8 m -109.03 137.74 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 HD12 ' A' ' 38' ' ' LEU . 48.4 mt -97.68 76.43 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.4 mt -66.01 157.85 78.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.54 0.685 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -47.02 0.33 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.326 -0.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.33 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' PRO . 58.4 ttp85 64.31 55.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 63.0 m170 -106.74 99.04 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.56 ' CG2' HG12 ' A' ' 29' ' ' VAL . 32.4 p -70.62 82.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 p -131.11 32.56 4.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD12 HD11 ' A' ' 30' ' ' LEU . 93.8 mt -152.22 117.39 5.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.15 178.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.6 -15.17 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.75 -40.16 1.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 20' ' ' VAL . 11.4 m -65.43 -14.2 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.47 -31.66 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -94.39 -14.04 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.28 -36.11 83.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.542 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -130.51 96.39 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -47.63 -19.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -115.72 168.35 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.3 t -81.78 120.78 78.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 7.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.6 mtp -116.2 -59.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -97.73 -21.26 17.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 65.27 46.38 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -102.98 122.38 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -44.29 107.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.72 104.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -90.02 -32.41 16.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -145.49 144.87 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.7 p -148.06 122.1 9.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 3.3 p90 -122.09 156.72 32.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.0 127.89 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.1 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.952 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.667 ' SG ' HG22 ' A' ' 20' ' ' VAL . 38.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.418 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 33.7 m -109.75 -36.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.667 HG22 ' SG ' ' A' ' 18' ' ' CYS . 18.2 m -74.31 -35.19 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -127.91 -19.13 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.441 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 4.9 pt20 39.36 35.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -118.81 -29.98 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.05 166.49 12.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -84.38 129.58 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.488 HG12 ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -77.93 112.58 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.495 ' ND2' ' HB1' ' A' ' 61' ' ' ALA . 16.5 t30 -124.15 39.51 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 81.1 m95 -152.17 120.98 6.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 36' ' ' THR . 20.9 m -88.72 139.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.673 HD11 HD12 ' A' ' 38' ' ' LEU . 53.3 mt -100.66 76.37 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -61.11 157.55 41.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.75 -47.01 0.33 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.336 -0.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.515 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -42.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' PRO . 38.8 ttp180 65.67 54.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 61.7 m170 -107.46 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 29' ' ' VAL . 11.3 p -85.29 79.76 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.167 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 22.2 p -127.19 33.03 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 30' ' ' LEU . 91.8 mt -155.97 115.43 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 57.2 m -53.16 175.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.813 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.577 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.9 p30 -46.98 -32.72 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.25 -54.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.562 ' HB3' HG21 ' A' ' 20' ' ' VAL . 27.9 m -46.14 -24.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 40' ' ' ASP . 13.4 p -56.66 -38.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' VAL . 13.2 pttt -88.98 -16.98 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.7 m-85 -60.6 -38.26 84.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -129.75 93.46 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -42.91 -22.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' PHE . 18.4 mt-30 -110.76 170.3 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 17.1 t -84.66 121.22 74.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.63 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 mtp -114.41 -60.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.91 -21.78 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 18.1 mmm180 64.97 51.45 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -110.83 127.54 55.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -45.95 116.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.82 103.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 4.6 pt20 -87.5 -32.53 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 8.5 pt-20 -145.49 148.14 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -148.27 123.87 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.1 p90 -129.53 139.72 51.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HB1' ' ND2' ' A' ' 27' ' ' ASN . . . -72.95 133.36 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.861 0.362 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.2 m -103.64 33.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.54 -47.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.5 -37.07 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 63.95 44.1 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -134.19 -33.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.27 156.83 15.4 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -80.76 136.86 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.418 HG12 ' C ' ' A' ' 38' ' ' LEU . 9.6 m -81.21 121.83 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -129.3 38.23 3.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.1 m95 -145.78 137.12 24.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG12 HG23 ' A' ' 36' ' ' THR . 33.8 m -101.42 131.82 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 71.5 mt -92.33 71.48 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.507 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.0 mt -58.92 158.19 17.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.537 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.8 -46.54 0.36 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.607 -1.83 . . . . 0.0 112.367 -0.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.537 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -26.99 -43.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.8 ttp180 67.58 54.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -110.13 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 28' ' ' TRP . 14.3 p -81.34 84.43 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 p -133.79 37.48 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' C ' HG12 ' A' ' 26' ' ' VAL . 44.5 mt -158.22 117.37 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -56.08 166.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.626 ' O ' HG12 ' A' ' 43' ' ' VAL . 5.2 t70 -42.95 -33.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.33 -48.99 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -53.66 -22.25 8.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 40' ' ' ASP . 10.1 p -57.51 -34.56 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -90.07 -21.28 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -55.83 -41.9 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -120.97 129.37 53.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -87.45 16.61 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -156.17 133.43 10.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -45.97 116.94 3.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 7.93 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.63 2.22 . . . . 0.0 112.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.6 mtm -116.3 -64.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.88 -19.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmm180 66.54 43.82 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -97.43 126.74 42.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -48.47 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.21 106.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -96.23 -33.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 31' ' ' LEU . 7.7 pt-20 -144.44 147.12 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.7 p -148.79 124.29 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 4.5 p90 -123.98 147.66 47.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.23 129.24 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.69 ' SG ' HG22 ' A' ' 20' ' ' VAL . 13.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.16 -31.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.747 HG11 ' CE1' ' A' ' 46' ' ' PHE . 15.4 m -67.8 -34.62 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -118.99 -38.01 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 56.57 40.54 29.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -132.86 -34.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -159.8 29.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.9 m -120.29 122.63 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.782 0.325 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 18' ' ' CYS . 4.0 m -67.95 119.71 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.571 ' ND2' ' HB1' ' A' ' 61' ' ' ALA . 42.2 t30 -133.77 41.23 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.5 m95 -155.64 114.32 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.48 ' HB ' ' CG ' ' A' ' 34' ' ' ARG . 17.1 m -83.72 134.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.595 HD11 HD12 ' A' ' 38' ' ' LEU . 75.2 mt -96.02 81.42 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -65.64 157.12 80.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 0.0 110.931 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.6 Cg_endo -69.7 -47.82 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.764 -1.765 . . . . 0.0 112.303 -0.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.4 ttt180 62.27 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' CG ' ' SG ' ' A' ' 33' ' ' CYS . 61.9 m170 -104.29 95.95 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.553 HG23 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -70.31 76.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HA ' HG11 ' A' ' 26' ' ' VAL . 2.4 m -122.14 31.48 6.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 30' ' ' LEU . 96.9 mt -149.67 120.89 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.28 165.36 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.561 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 5.6 p-10 -49.27 -20.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 44' ' ' LYS . . . -105.7 -22.14 8.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' HB3' HG21 ' A' ' 20' ' ' VAL . 35.3 m -83.28 -36.79 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.834 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.485 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 12.6 p -51.36 -21.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 45' ' ' TYR . 3.2 pttm -93.99 -27.97 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.414 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.3 m-85 -64.37 -28.92 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.747 ' CE1' HG11 ' A' ' 20' ' ' VAL . 1.3 m-85 -127.31 130.42 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -82.39 -19.29 39.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.467 ' HA ' HG23 ' A' ' 56' ' ' VAL . 27.3 mt-30 -118.37 168.99 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 22.5 t -73.97 120.73 82.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.528 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.6 Cg_endo -69.81 11.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.406 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.1 mtm -119.68 -60.73 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -100.04 -14.13 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.2 mmt180 62.77 49.92 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -101.27 126.49 48.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.51 108.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 48' ' ' GLN . 91.4 t -67.8 99.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 10.3 pt20 -85.85 -35.08 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 5.3 pt-20 -145.77 146.42 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m -148.44 150.22 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -153.84 153.54 32.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB1' ' ND2' ' A' ' 27' ' ' ASN . . . -81.62 129.95 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.702 ' SG ' HG22 ' A' ' 20' ' ' VAL . 22.4 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.819 0.343 . . . . 0.0 110.935 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 37' ' ' CYS . 35.9 m -120.71 -38.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.702 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.9 m -59.51 -33.25 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.0 p -127.51 -26.37 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 44.5 39.04 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -122.84 -40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.46 164.18 13.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t -81.31 131.11 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 36' ' ' THR . 30.1 m -82.62 126.31 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -131.49 32.47 4.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.644 ' C ' HG23 ' A' ' 36' ' ' THR . 74.6 m95 -147.23 117.76 7.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG12 ' OG1' ' A' ' 36' ' ' THR . 23.0 m -87.7 143.33 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 38' ' ' LEU . 39.7 mt -102.54 79.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 32' ' ' PRO . 19.7 mt -63.2 158.46 55.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.582 ' O ' HD23 ' A' ' 31' ' ' LEU . 54.0 Cg_endo -69.67 -48.17 0.28 Allowed 'Cis proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.383 -0.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.514 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.19 -41.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' PRO . 32.5 ttt180 69.11 52.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -102.6 103.63 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.644 HG23 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -77.82 46.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB2' HG22 ' A' ' 19' ' ' VAL . 25.6 p -92.77 39.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 30' ' ' LEU . 99.4 mt -156.6 120.76 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.38 165.48 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 4.9 p-10 -41.03 -29.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.53 -44.29 2.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB3' HG21 ' A' ' 20' ' ' VAL . 9.4 m -58.85 -28.47 66.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.872 0.367 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.458 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 6.2 p -50.61 -34.1 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -94.95 -17.27 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -59.34 -42.7 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.47 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -125.05 97.62 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.837 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -45.97 -23.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -110.95 162.95 14.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.7 t -73.29 118.24 67.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.2 Cg_endo -69.81 8.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.2 mtm -117.64 -60.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.39 -18.3 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmt180 66.02 46.19 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -103.91 127.71 51.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -49.72 111.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 30' ' ' LEU . 91.6 t -68.77 104.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -88.77 -39.12 14.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' A' ' 31' ' ' LEU . 9.1 pt-20 -139.76 141.36 36.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -145.41 133.2 21.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.8 p90 -134.4 161.52 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.65 116.54 28.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.4 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m -120.29 174.68 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 p -92.01 -57.47 2.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.61 40.67 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.525 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 m -94.84 92.93 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.364 . . . . 0.0 110.837 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 t -97.82 42.45 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.62 89.08 0.1 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 8' ' ' VAL . 32.0 m -113.73 100.92 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -139.62 149.32 59.37 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.692 0.758 . . . . 0.0 110.819 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 169.49 18.84 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.658 2.239 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.2 m -48.16 -52.06 22.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -143.14 119.15 10.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -108.6 43.39 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -154.45 117.09 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.5 t -173.53 133.4 0.48 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mmtt 40.37 43.28 1.44 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -111.52 169.44 8.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.421 ' HB2' HG13 ' A' ' 26' ' ' VAL . 53.2 t -65.81 129.83 41.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.0 m -93.88 22.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.156 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG21 ' CE1' ' A' ' 46' ' ' PHE . 88.1 t -118.81 -52.94 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.205 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 p -115.59 -15.21 11.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.957 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 39.28 37.5 0.27 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -119.3 -35.62 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.17 161.53 12.65 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.477 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.423 ' O ' HG23 ' A' ' 25' ' ' THR . 8.3 t -84.02 123.23 29.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.878 0.371 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 36' ' ' THR . 5.1 m -68.28 122.13 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -129.68 39.84 3.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 75.7 m95 -150.25 133.83 16.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.998 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.695 HG21 ' CE2' ' A' ' 60' ' ' PHE . 33.5 m -98.2 141.77 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.079 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 36.8 mt -101.97 79.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.515 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.0 mt -61.63 157.28 48.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.952 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.67 -47.75 0.3 Allowed 'Cis proline' 0 C--O 1.231 0.153 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.344 -0.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.86 -41.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttp85 67.16 53.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 52.0 m170 -101.37 128.85 47.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.472 ' CG2' HG12 ' A' ' 29' ' ' VAL . 69.2 p -100.6 80.31 2.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 97.4 m -131.36 27.49 4.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.2 mt -145.94 112.28 5.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' C ' ' N ' ' A' ' 41' ' ' GLY . 34.6 m -53.84 162.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.1 m-20 -42.78 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 39' ' ' CYS . . . -100.72 -46.08 1.84 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.445 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 m -61.13 -15.53 34.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.95 0.405 . . . . 0.0 110.951 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.9 p -61.97 -32.33 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -91.29 -20.94 21.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -56.83 -44.74 82.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.406 ' CE1' HG21 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -120.62 114.79 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -61.53 -19.55 62.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -114.56 176.65 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 16.8 t -84.34 124.98 73.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 9.03 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.664 2.242 . . . . 0.0 112.32 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.3 mtm -122.14 -61.35 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -95.28 -16.62 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 44.9 mmm-85 58.23 50.46 9.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -104.84 126.84 52.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -43.71 110.87 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.31 106.88 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -92.37 -33.38 14.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.491 ' HG3' HD13 ' A' ' 31' ' ' LEU . 3.1 pt-20 -144.35 147.66 33.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.0 m -147.88 133.61 18.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.695 ' CE2' HG21 ' A' ' 29' ' ' VAL . 8.6 p90 -137.91 150.51 47.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -82.72 132.7 35.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.08 -62.61 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t 41.25 47.4 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -122.85 -168.11 13.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.548 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.72 3.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.653 2.235 . . . . 0.0 112.331 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.3 m -95.07 97.5 9.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.0 t -157.73 158.87 36.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.495 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 3' ' ' SER . 32.2 t -154.31 136.62 14.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.857 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 2' ' ' SER . 58.8 m -35.1 115.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.13 110.69 1.11 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 m -126.75 109.64 12.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.91 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -147.46 156.87 43.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.23 170.21 13.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 8' ' ' VAL . 16.3 m -88.32 80.96 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.149 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -68.78 146.93 97.83 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.682 0.753 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -172.86 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.0 m -121.6 77.3 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -125.27 40.69 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -70.21 129.17 38.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.2 m120 41.8 41.59 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.832 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -41.16 135.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -69.32 -41.61 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -50.32 176.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.0 t -60.14 120.72 10.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -88.59 16.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.173 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 38' ' ' LEU . 99.4 t -110.68 -40.71 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.7 p -124.22 -16.82 6.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 44.2 40.12 3.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -126.3 -46.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.24 170.48 30.15 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.9 m -97.69 110.36 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.334 . . . . 0.0 111.151 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG21 ' O ' ' A' ' 36' ' ' THR . 7.0 m -57.13 113.37 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -123.44 37.08 4.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.482 ' O ' HG22 ' A' ' 36' ' ' THR . 79.9 m95 -145.72 133.48 21.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.601 HG12 HG23 ' A' ' 36' ' ' THR . 18.6 m -100.24 138.06 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.672 ' HB3' HG22 ' A' ' 56' ' ' VAL . 12.9 mt -99.28 71.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 11.1 mt -55.28 156.64 7.58 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 110.992 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.8 Cg_endo -69.8 -44.61 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.617 -1.826 . . . . 0.0 112.359 -0.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -31.53 -40.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' PRO . 12.9 ttp-105 61.89 55.03 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -105.43 112.2 25.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.601 HG23 HG12 ' A' ' 29' ' ' VAL . 23.6 p -84.15 82.12 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.32 32.22 4.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' C ' HG12 ' A' ' 26' ' ' VAL . 71.5 mt -155.04 118.27 4.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.0 m -55.71 173.3 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 t0 -59.39 -11.61 4.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.23 -30.7 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 17.9 m -82.19 -10.98 58.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.872 0.367 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.08 -30.4 49.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 pttt -90.74 -17.05 27.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -61.66 -37.44 84.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.437 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.4 OUTLIER -128.9 94.31 3.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.934 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -46.49 -20.96 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -112.35 164.61 13.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.481 ' SG ' HD12 ' A' ' 30' ' ' LEU . 16.6 t -76.36 119.83 79.04 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 9.67 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.682 2.255 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.3 mtm -119.15 -56.57 2.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -100.97 -14.28 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.3 mmt85 59.72 47.7 10.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -104.49 130.62 52.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -51.05 108.71 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.672 HG22 ' HB3' ' A' ' 30' ' ' LEU . 73.7 t -67.66 101.72 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.8 pt20 -85.74 -39.71 16.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.48 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 4.0 pt-20 -139.51 140.94 37.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -140.96 122.36 14.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -124.39 150.68 45.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.15 136.62 35.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.476 HD11 HG21 ' A' ' 36' ' ' THR . 18.6 mt -60.49 -45.2 94.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -121.74 158.35 28.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.04 169.32 34.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 2.06 3.84 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.661 2.241 . . . . 0.0 112.395 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.6 p -70.47 152.17 44.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.6 t -79.88 155.1 27.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.505 -179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.583 -0.207 . . . . 0.0 112.583 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -87.39 132.44 33.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.828 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -138.38 136.98 36.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.26 121.45 0.71 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -136.49 151.19 49.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.832 -179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -71.22 102.74 2.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.21 -153.13 5.84 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -150.09 131.95 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 111.127 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -148.56 150.93 34.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -176.53 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.654 2.236 . . . . 0.0 112.331 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -55.86 -53.71 53.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.54 147.13 24.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -63.97 171.15 3.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -152.08 133.62 14.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 63.0 m -61.38 103.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -103.96 -44.25 5.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 15.7 m-20 -140.96 174.49 10.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.831 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 51.6 t -65.44 129.24 39.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.3 m -93.51 21.5 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.1 t -119.88 -46.1 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.1 p -124.37 -6.87 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.506 ' C ' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER 29.73 46.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -125.62 -38.14 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.64 175.55 21.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.1 m -97.99 113.0 24.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.792 0.329 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 36' ' ' THR . 9.4 m -61.17 113.67 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.764 ' HA ' HD12 ' A' ' 62' ' ' LEU . 37.2 t30 -123.25 32.74 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.7 m95 -141.77 135.61 29.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.697 HG12 HG23 ' A' ' 36' ' ' THR . 26.6 m -101.64 143.48 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' ' 49' ' ' CYS . 54.4 mt -103.68 71.46 1.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD13 ' HG3' ' A' ' 58' ' ' GLU . 9.7 mt -54.61 157.96 4.71 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.645 0.736 . . . . 0.0 110.891 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.511 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.8 Cg_endo -69.85 -45.79 0.4 Allowed 'Cis proline' 0 C--O 1.231 0.164 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.279 -0.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.1 p -28.74 -40.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 19.2 ttp-105 65.09 54.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -107.75 119.57 39.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.793 HG21 HD11 ' A' ' 62' ' ' LEU . 37.5 p -90.88 81.23 5.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 m -127.05 29.41 5.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' HG12 ' A' ' 26' ' ' VAL . 32.1 mt -149.89 119.65 7.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 m -58.46 169.0 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.1 t70 -49.26 -19.05 0.42 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.25 -53.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.3 m -55.22 -17.09 3.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.0 p -62.68 -34.03 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -91.77 -15.0 28.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -57.71 -40.58 79.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -129.49 134.32 47.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -83.72 32.21 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.537 ' HA ' HG23 ' A' ' 56' ' ' VAL . 12.7 mt-30 -158.77 171.78 19.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' HA ' HD13 ' A' ' 30' ' ' LEU . 11.9 t -84.52 119.81 73.42 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 9.73 0.56 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 8.4 mtm -118.16 -62.09 1.59 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.8 p -96.77 -16.43 20.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.1 mmt85 63.49 45.9 4.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -101.33 129.16 47.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -47.01 115.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 48' ' ' GLN . 93.7 t -73.55 107.05 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -89.17 -36.97 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.512 ' HG3' HD13 ' A' ' 31' ' ' LEU . 3.6 pt-20 -144.21 148.5 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -147.17 136.08 22.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.9 p90 -141.41 155.44 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.69 130.59 35.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.793 HD11 HG21 ' A' ' 36' ' ' THR . 14.6 mt -52.98 -53.6 47.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.969 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.3 t -72.48 -45.85 57.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 110.48 -173.78 16.67 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 97.24 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.641 2.228 . . . . 0.0 112.338 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -85.44 -43.77 13.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.4 p -74.17 119.81 18.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.8 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.525 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -129.36 144.4 51.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -92.8 -55.56 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.35 166.55 13.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -112.57 84.11 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 m -94.77 89.74 5.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.95 79.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 8' ' ' VAL . 30.2 m -115.58 77.34 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.164 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -145.44 152.38 49.66 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 166.96 25.8 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -78.4 49.72 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -154.82 124.31 6.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -114.46 109.7 18.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.66 107.48 9.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 54.5 p -40.9 119.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -123.39 -38.93 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -106.21 177.0 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 46.4 t -64.98 130.63 44.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG22 ' HB2' ' A' ' 37' ' ' CYS . 19.4 m -94.58 27.23 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.1 t -124.59 -54.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.6 p -109.59 -17.82 13.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 40.96 36.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -125.68 -32.33 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.84 -158.45 29.48 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.5 m -130.63 100.73 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.912 ' HB ' HG22 ' A' ' 36' ' ' THR . 2.8 m -41.73 119.92 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.484 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 30.9 t30 -133.39 36.21 3.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 67.9 m95 -153.44 128.9 9.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.526 HG13 HD21 ' A' ' 62' ' ' LEU . 27.5 m -94.97 135.93 27.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.63 ' HB3' HG22 ' A' ' 56' ' ' VAL . 48.7 mt -94.94 69.59 3.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.504 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 5.3 mt -53.61 158.51 3.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.647 0.737 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.5 Cg_endo -69.69 -45.74 0.4 Allowed 'Cis proline' 0 C--O 1.232 0.2 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.435 -0.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.4 p -28.5 -41.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.3 ttp-105 66.5 53.28 0.97 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.8 m170 -107.08 108.51 20.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.912 HG22 ' HB ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -80.41 71.86 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 -179.864 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.463 ' HB2' HG22 ' A' ' 19' ' ' VAL . 9.3 p -117.29 33.85 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 HD12 HD11 ' A' ' 30' ' ' LEU . 74.5 mt -156.61 116.96 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -58.01 168.46 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.575 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 1.7 p-10 -44.45 -27.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.808 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.08 -51.71 1.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.0 m -54.83 -16.53 2.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.839 0.352 . . . . 0.0 110.894 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.441 HG12 ' O ' ' A' ' 40' ' ' ASP . 14.2 p -60.03 -37.27 71.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -88.65 -19.61 25.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -56.52 -44.35 80.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -123.85 103.26 8.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.869 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -52.96 -20.58 3.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -113.47 162.87 15.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 12.4 t -72.37 119.55 75.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.59 0.709 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 9.35 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.775 2.317 . . . . 0.0 112.292 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.7 mtp -119.01 -63.2 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.829 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -95.12 -18.72 20.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.0 mmm180 65.19 51.72 1.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -109.3 123.14 48.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -42.7 110.24 0.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.925 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.63 HG22 ' HB3' ' A' ' 30' ' ' LEU . 86.2 t -68.86 101.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.052 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.28 -37.76 21.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.478 ' HG3' HD13 ' A' ' 31' ' ' LEU . 4.5 pt-20 -143.23 145.45 32.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -147.8 122.62 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.8 p90 -127.3 149.76 49.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.08 133.36 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD21 HG13 ' A' ' 29' ' ' VAL . 19.5 mt -56.82 -47.73 79.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.9 t -77.41 161.49 27.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 65' ' ' PRO . . . 111.1 -129.83 9.44 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.439 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 64' ' ' GLY . 54.0 Cg_endo -69.77 153.73 68.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.638 2.225 . . . . 0.0 112.39 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 t -108.37 -47.2 3.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.5 p -129.79 159.84 35.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.49 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.0 p -95.64 105.03 16.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.83 0.347 . . . . 0.0 110.946 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -46.74 172.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.88 -109.54 1.14 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.1 t -89.76 -50.58 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.896 0.379 . . . . 0.0 110.894 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 m 38.26 38.91 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.96 116.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.556 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 8' ' ' VAL . 30.6 m -123.38 109.73 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.754 0.312 . . . . 0.0 111.145 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -148.57 151.35 35.85 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.625 0.726 . . . . 0.0 110.923 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 151.61 68.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.304 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t -79.3 49.76 1.01 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -60.47 156.84 15.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -85.66 122.71 30.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -115.72 52.98 0.86 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 m -89.93 28.08 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.8 71.16 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -168.6 149.64 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.586 ' SG ' HG22 ' A' ' 20' ' ' VAL . 12.1 t -55.93 161.93 2.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 37' ' ' CYS . 30.0 m -120.92 -38.4 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.156 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.586 HG22 ' SG ' ' A' ' 18' ' ' CYS . 11.8 m -61.22 -35.8 68.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 p -123.76 -22.79 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 40.63 36.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -119.3 -40.93 2.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.08 163.69 13.77 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.421 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -79.75 138.02 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.413 HG12 ' C ' ' A' ' 38' ' ' LEU . 7.5 m -87.35 123.19 39.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -126.71 34.76 4.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.584 ' O ' HG22 ' A' ' 36' ' ' THR . 68.5 m95 -147.02 148.54 31.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.583 HG12 ' CG2' ' A' ' 36' ' ' THR . 32.8 m -113.35 145.51 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 46.8 mt -105.89 72.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.519 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.3 mt -60.42 157.09 37.62 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.1 Cg_endo -69.75 -45.44 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 -1.794 . . . . 0.0 112.309 -0.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.494 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -40.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' PRO . 33.2 ttp180 62.32 54.95 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -104.57 108.38 19.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 28' ' ' TRP . 29.4 p -80.17 81.92 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.178 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' HB2' HG22 ' A' ' 19' ' ' VAL . 6.0 p -132.84 34.3 3.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' C ' HG12 ' A' ' 26' ' ' VAL . 62.6 mt -151.51 118.13 5.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 49.1 m -59.72 174.44 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -59.64 -11.71 5.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.73 -23.07 5.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.3 m -86.76 -16.04 37.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.75 -31.44 53.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -3.85 50.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -77.21 -31.68 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' CE2' HG11 ' A' ' 20' ' ' VAL . 2.3 m-85 -131.45 126.38 34.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -76.29 0.94 17.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -135.19 175.94 9.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.5 t -85.92 118.91 71.36 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.688 0.756 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 10.0 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.722 2.281 . . . . 0.0 112.381 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.3 mtm -119.71 -54.31 2.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.9 p -106.26 -12.33 15.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 16.6 mmm180 59.21 48.05 10.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -99.6 127.82 45.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -49.42 109.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.32 103.44 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.404 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 4.2 pt20 -88.65 -32.03 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 5.5 pt-20 -147.38 142.06 26.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -142.31 123.86 14.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.504 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 2.7 p90 -129.54 143.64 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.26 127.81 33.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.485 HD11 HG21 ' A' ' 36' ' ' THR . 15.5 mt -47.82 -45.07 29.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 t -49.13 -48.27 44.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.61 127.83 2.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.529 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 -32.31 19.12 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.371 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.7 t -55.94 -62.84 1.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -150.99 121.07 7.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 p -157.26 123.66 4.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.931 0.396 . . . . 0.0 110.828 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.7 p -139.43 137.83 35.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.06 52.77 0.45 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.438 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 m -104.46 135.53 45.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.377 . . . . 0.0 110.891 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -161.1 143.78 12.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.0 -165.64 12.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' ' 8' ' ' VAL . 17.2 t 42.89 41.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.831 0.348 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -61.72 146.11 91.03 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.636 0.732 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 172.31 12.79 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' GLU . 61.3 p -42.94 -53.07 4.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -35.75 127.33 0.67 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -133.65 39.94 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.7 m120 67.18 43.46 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.8 m -124.54 -46.2 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.92 40.52 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -118.19 165.46 13.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.827 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.55 148.84 46.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.8 m -106.03 -32.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.18 -52.63 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -106.78 -37.87 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 61.44 45.94 8.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.94 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -133.96 -41.2 0.83 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.16 174.19 27.21 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.4 m -95.65 115.15 27.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.739 0.305 . . . . 0.0 111.083 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.486 ' O ' HG23 ' A' ' 26' ' ' VAL . 18.4 m -63.44 113.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -119.9 32.66 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.949 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.57 ' O ' HG22 ' A' ' 36' ' ' THR . 87.7 m95 -142.19 138.19 31.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG12 HG23 ' A' ' 36' ' ' THR . 20.4 m -105.18 139.07 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 52.2 mt -99.99 72.16 1.68 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 6.5 mt -61.34 156.99 47.96 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.3 Cg_endo -69.71 -44.49 0.5 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.615 -1.827 . . . . 0.0 112.354 -0.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.498 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.72 -41.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 32' ' ' PRO . 13.8 ttp180 62.71 54.91 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.4 m170 -107.04 108.75 20.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 28' ' ' TRP . 17.4 p -80.9 79.47 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 p -127.48 33.4 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt -154.49 119.3 4.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 54.0 m -62.56 172.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.8 OUTLIER -51.69 -16.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -107.66 -39.19 1.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.0 m -69.5 -18.01 63.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.0 -36.64 73.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.177 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.2 pttm -87.72 -15.53 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.2 m-85 -63.0 -36.65 84.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.535 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -131.48 114.24 14.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.36 -14.03 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -122.11 161.05 23.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 19.6 t -73.64 118.37 68.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.628 0.728 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.63 9.56 0.56 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.748 2.298 . . . . 0.0 112.417 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 41.1 mtm -117.12 -61.16 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 32.1 p -96.84 -15.04 21.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.9 mmm180 62.43 46.51 5.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -101.59 130.43 47.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -52.96 110.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -68.43 95.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 6.2 pt20 -85.8 -27.89 24.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.443 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.7 pt-20 -151.54 142.77 23.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -148.37 122.83 9.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.471 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 5.2 p90 -122.8 158.73 29.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -84.2 135.71 34.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.81 -56.4 17.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.6 p -85.87 138.93 31.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.98 -137.24 4.5 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.47 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 121.81 8.5 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.318 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.4 t -55.63 -61.2 2.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 t -130.87 100.79 5.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.539 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -105.01 113.21 26.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 110.897 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.0 p -90.26 123.19 33.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.01 -103.38 2.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -122.34 104.92 9.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 m -66.22 -49.43 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.35 89.09 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.45 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 8' ' ' VAL . 16.8 m -115.78 112.39 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.758 0.313 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -154.61 149.63 20.43 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.591 0.71 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 153.88 68.39 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.322 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 m -80.33 70.67 7.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -124.98 133.76 52.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -144.04 120.41 10.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -53.18 101.99 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.6 t -116.84 -49.49 2.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' O ' HG22 ' A' ' 26' ' ' VAL . 35.1 mtpt -101.32 47.32 0.91 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.895 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -114.03 139.95 48.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.9 t -67.17 129.51 40.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.424 HG22 ' HB3' ' A' ' 37' ' ' CYS . 15.3 m -93.08 16.71 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 HG21 ' CD2' ' A' ' 38' ' ' LEU . 88.9 t -110.93 -62.79 2.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.116 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.4 p -99.61 -30.92 11.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 60.28 42.5 14.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -128.92 -42.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.17 163.59 15.04 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.556 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.521 ' O ' HG23 ' A' ' 25' ' ' THR . 12.9 t -88.75 120.24 29.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 111.107 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.491 HG21 ' O ' ' A' ' 36' ' ' THR . 9.3 m -63.08 125.85 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -134.94 41.25 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.446 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 79.0 m95 -150.24 130.29 13.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.495 HG12 HG23 ' A' ' 36' ' ' THR . 25.8 m -94.67 128.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.495 HD13 ' HA ' ' A' ' 49' ' ' CYS . 83.6 mt -86.92 71.91 10.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 14.6 mt -56.34 156.8 10.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.6 Cg_endo -69.69 -46.07 0.38 Allowed 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 -1.815 . . . . 0.0 112.389 -0.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -28.03 -42.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.8 ttt180 69.5 53.31 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -105.64 124.84 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.688 HG21 HD11 ' A' ' 62' ' ' LEU . 39.1 p -96.34 81.41 3.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.196 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.424 ' HB3' HG22 ' A' ' 19' ' ' VAL . 22.9 m -132.43 36.32 3.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' CD2' HG21 ' A' ' 20' ' ' VAL . 81.2 mt -155.81 109.47 2.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.007 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 39.6 m -47.72 167.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.0 p30 -46.52 -20.58 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.71 -48.03 1.13 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 47.3 m -57.44 -15.89 8.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.937 0.399 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.9 -37.26 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -87.93 -16.8 32.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.93 -43.17 99.39 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -120.05 95.45 4.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -45.32 -22.69 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.44 ' HA ' HG23 ' A' ' 56' ' ' VAL . 21.6 mt-30 -112.25 173.36 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.495 ' HA ' HD13 ' A' ' 30' ' ' LEU . 33.8 t -82.67 122.41 78.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.605 0.717 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 7.3 1.03 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.749 2.3 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.1 mtm -116.02 -61.84 1.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.5 p -97.47 -20.04 18.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 12.1 mmm180 62.95 51.35 2.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 55' ' ' PHE . 10.4 tt0 -108.07 120.4 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' GLN . 23.1 t80 -34.92 112.01 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 48' ' ' GLN . 98.6 t -73.54 100.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.467 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 2.5 pt20 -78.02 -34.5 50.62 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 12.9 pt-20 -152.17 155.82 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.8 m -149.54 124.99 10.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.523 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 3.3 p90 -129.33 150.55 50.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.12 125.2 28.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.688 HD11 HG21 ' A' ' 36' ' ' THR . 22.0 mt -40.45 -52.07 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.1 t -65.64 -51.17 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 114.89 -166.52 12.17 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.526 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -178.94 2.62 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.69 2.26 . . . . 0.0 112.304 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.6 p -67.74 176.87 2.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.8 m -137.99 124.36 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.538 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -128.19 168.41 15.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.364 . . . . 0.0 110.864 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.0 m -121.4 163.3 18.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.4 137.77 13.51 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.516 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -98.05 111.04 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 t -68.53 119.26 12.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.92 49.98 0.57 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.9 m -112.4 113.81 45.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.829 0.347 . . . . 0.0 111.187 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -133.91 153.07 79.67 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.61 0.719 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 162.29 42.64 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.715 2.277 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -85.62 62.92 7.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -127.22 90.71 3.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -100.85 141.27 33.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -92.41 79.68 4.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 75.7 m -122.14 -56.52 1.82 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mmmp? 40.35 43.67 1.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -118.18 169.53 9.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.608 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.6 t -55.75 167.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.27 -37.69 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.71 HG11 ' CE1' ' A' ' 46' ' ' PHE . 16.0 m -61.0 -35.21 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 p -119.83 -39.36 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 61.34 44.94 9.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -133.03 -43.12 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.92 168.23 19.06 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.5 m -87.61 131.81 34.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 111.074 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 36' ' ' THR . 4.2 m -77.96 118.51 25.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -124.91 39.47 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.521 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 73.8 m95 -150.49 135.76 17.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.497 HG21 ' CE2' ' A' ' 60' ' ' PHE . 27.5 m -98.82 137.07 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.052 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 49' ' ' CYS . 27.7 mt -99.28 70.27 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 13.5 mt -59.48 157.29 26.44 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.4 Cg_endo -69.83 -46.25 0.37 Allowed 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.591 -1.837 . . . . 0.0 112.365 -0.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.511 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -41.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.4 ttp180 64.43 55.06 1.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -108.42 107.98 18.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 26' ' ' VAL . 47.0 p -78.77 83.04 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.437 ' O ' HD23 ' A' ' 38' ' ' LEU . 7.2 m -132.68 34.4 3.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.448 HD21 ' HG3' ' A' ' 50' ' ' PRO . 55.9 mt -152.04 111.66 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.6 m -51.02 171.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -49.19 -29.06 5.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.83 -44.92 2.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HB3' HG21 ' A' ' 20' ' ' VAL . 32.9 m -58.44 -16.79 16.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 40' ' ' ASP . 13.3 p -59.81 -33.02 51.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -93.34 -17.37 23.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -61.61 -40.23 94.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.71 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -125.89 93.16 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -44.18 -25.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.456 ' HA ' HG23 ' A' ' 56' ' ' VAL . 37.1 mt-30 -110.91 169.36 8.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' HA ' HD13 ' A' ' 30' ' ' LEU . 41.1 t -78.19 120.43 81.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.448 ' HG3' HD21 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.82 9.5 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.642 2.228 . . . . 0.0 112.352 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.9 mtm -116.82 -60.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -97.65 -18.38 18.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 64.14 48.89 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' NE2' ' HG2' ' A' ' 32' ' ' PRO . 5.4 tt0 -105.82 119.51 39.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -39.36 115.44 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG23 ' HA ' ' A' ' 48' ' ' GLN . 97.6 t -72.65 106.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -89.45 -37.83 14.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.4 pt-20 -141.63 137.95 32.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.7 p -139.49 122.06 16.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -128.32 151.09 49.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -76.01 128.74 35.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.1 mt -43.8 -55.66 4.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.6 m -103.87 -48.39 3.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.94 -131.91 4.81 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.27 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.744 2.296 . . . . 0.0 112.3 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.5 p -148.52 152.22 36.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -58.83 100.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.236 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.49 -179.895 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -67.53 -57.67 6.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.904 0.383 . . . . 0.0 110.907 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -127.72 157.98 38.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.63 82.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.453 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -143.4 125.77 15.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.946 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 m -103.89 175.96 5.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.23 -77.25 0.3 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.387 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 8' ' ' VAL . 35.1 m -127.59 118.13 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.772 0.32 . . . . 0.0 111.07 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.1 138.69 0.83 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.681 0.753 . . . . 0.0 110.868 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -177.72 2.0 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.643 2.229 . . . . 0.0 112.393 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.8 m -132.44 39.69 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -74.09 96.76 2.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -103.36 167.12 10.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -114.75 81.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -104.47 -49.19 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -106.31 67.45 0.73 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -148.41 166.69 27.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.728 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.1 t -72.01 167.44 20.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.3 m -129.0 -33.55 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.728 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.7 m -63.14 -33.19 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.103 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -118.87 -34.69 3.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.924 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 58.79 33.46 23.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -125.97 -44.34 1.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.76 176.08 27.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.0 m -95.91 148.37 22.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.839 ' HB ' HG22 ' A' ' 36' ' ' THR . 4.7 m -91.11 123.8 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.523 ' O ' ' CD1' ' A' ' 28' ' ' TRP . 42.6 t30 -132.14 39.29 3.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 27' ' ' ASN . 80.1 m95 -156.95 115.27 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 16.6 m -82.31 136.29 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.767 HD11 HD12 ' A' ' 38' ' ' LEU . 78.1 mt -96.36 80.49 3.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 32' ' ' PRO . 9.5 mt -65.79 158.37 75.28 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.656 0.741 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.5 Cg_endo -69.77 -47.86 0.29 Allowed 'Cis proline' 0 C--O 1.233 0.232 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.294 -0.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.61 -43.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.887 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttt-85 68.79 55.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -106.92 99.74 9.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.839 HG22 ' HB ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -74.3 63.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -111.0 39.5 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.767 HD12 HD11 ' A' ' 30' ' ' LEU . 96.6 mt -156.38 118.1 3.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.95 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.8 m -56.42 172.79 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.507 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.9 p-10 -49.04 -29.28 4.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.3 -47.24 2.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.8 m -52.17 -26.11 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.946 0.403 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.23 -33.21 9.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -94.21 -18.85 21.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.432 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 4.9 m-85 -59.12 -43.76 91.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -124.72 91.2 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.819 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -44.64 -23.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -113.7 151.03 32.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.6 t -60.72 118.56 35.94 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.1 Cg_endo -69.82 9.9 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.713 2.275 . . . . 0.0 112.259 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.3 mtm -118.93 -63.01 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.4 p -93.32 -17.64 23.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmt85 65.21 47.55 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -104.4 127.99 52.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -49.84 112.97 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -72.23 99.35 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.514 ' NE2' ' OE2' ' A' ' 58' ' ' GLU . 12.8 pt20 -87.44 -34.37 18.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.514 ' OE2' ' NE2' ' A' ' 57' ' ' GLN . 7.5 pt-20 -145.38 143.8 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.4 m -148.91 140.11 23.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 5.4 p90 -139.88 152.33 46.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' HB1' ' ND2' ' A' ' 27' ' ' ASN . . . -81.66 127.52 32.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.5 mt -44.65 -56.67 4.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.6 m -81.33 -52.22 7.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.77 161.74 12.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.525 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.61 31.03 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.747 2.298 . . . . 0.0 112.36 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 86.7 p -75.17 156.11 36.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.777 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.7 m -100.77 81.62 2.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.793 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.495 179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -135.64 175.61 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 t -87.68 113.86 23.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.05 -84.49 1.78 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 t -67.52 144.54 55.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.407 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -122.71 141.6 51.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.818 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.16 -151.13 28.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.4 t -141.14 113.46 4.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -143.03 149.32 48.71 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.725 0.774 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -174.58 0.94 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.707 2.271 . . . . 0.0 112.3 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.5 m -78.63 -43.4 26.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -64.75 158.19 25.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.81 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -54.05 140.12 32.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -54.7 163.07 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.78 26.32 10.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -93.25 -45.62 7.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -91.16 173.46 7.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.6 t -55.49 129.04 37.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -95.37 28.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.446 HG21 ' CE1' ' A' ' 46' ' ' PHE . 77.0 t -125.1 -47.71 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.8 p -116.03 -31.1 5.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 57.34 43.29 23.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -132.43 -33.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -113.49 157.52 14.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.8 m -83.67 121.91 27.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG12 ' C ' ' A' ' 38' ' ' LEU . 1.6 m -62.57 111.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.838 ' HA ' HD12 ' A' ' 62' ' ' LEU . 41.8 t30 -120.83 35.63 4.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.475 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 65.4 m95 -146.89 135.93 22.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.519 HG12 HG23 ' A' ' 36' ' ' THR . 28.5 m -101.9 139.51 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.435 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 72.3 mt -98.96 76.15 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 60' ' ' PHE . 6.2 mt -60.12 157.2 33.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 33' ' ' CYS . 52.9 Cg_endo -69.85 -45.21 0.44 Allowed 'Cis proline' 0 C--O 1.232 0.219 0 C-N-CA 122.663 -1.807 . . . . 0.0 112.325 -0.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.513 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.87 -42.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.86 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' N ' ' O ' ' A' ' 32' ' ' PRO . 34.8 ttt180 65.61 54.99 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -107.24 124.89 50.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.528 HG21 HD11 ' A' ' 62' ' ' LEU . 16.6 p -92.1 85.37 5.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.09 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.3 p -133.43 30.49 3.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' C ' HG12 ' A' ' 26' ' ' VAL . 87.0 mt -153.9 114.38 3.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 m -53.96 173.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.475 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.1 p-10 -53.82 -17.46 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -106.77 -42.95 1.49 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.54 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.6 m -64.62 -17.93 64.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -59.51 -31.63 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.47 -22.97 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -56.99 -42.67 80.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.446 ' CE1' HG21 ' A' ' 20' ' ' VAL . 2.5 m-85 -118.17 122.7 43.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -70.43 -20.6 62.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.622 ' HA ' HG23 ' A' ' 56' ' ' VAL . 8.8 mt-30 -118.68 174.66 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -81.43 120.78 79.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.699 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 8.5 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.758 2.306 . . . . 0.0 112.37 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 42.6 mtm -118.31 -59.93 1.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -97.29 -16.43 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 10.4 mmt85 61.27 48.65 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.796 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -105.24 124.58 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -42.87 117.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.622 HG23 ' HA ' ' A' ' 48' ' ' GLN . 51.7 t -78.41 100.6 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.462 ' CG ' ' HG2' ' A' ' 58' ' ' GLU . 14.6 pt20 -86.17 -31.72 21.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.462 ' HG2' ' CG ' ' A' ' 57' ' ' GLN . 2.6 pt-20 -147.47 146.09 29.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.8 m -147.78 125.16 11.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 31' ' ' LEU . 4.8 p90 -128.55 145.19 51.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.47 127.59 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.838 HD12 ' HA ' ' A' ' 27' ' ' ASN . 13.3 mt -43.11 -45.65 5.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 44.8 m -117.71 95.57 4.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 65' ' ' PRO . . . -127.33 -131.82 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.504 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 64' ' ' GLY . 54.6 Cg_endo -69.76 -21.64 33.22 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.694 2.262 . . . . 0.0 112.419 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' PRO . 64.6 m -36.23 -52.08 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.834 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.2 p -138.23 171.68 14.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.07 -0.85 . . . . 0.0 112.497 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t -152.93 126.19 8.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -75.13 151.19 38.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.24 67.17 0.26 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.534 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -97.22 90.26 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -76.42 -57.32 3.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.53 -109.32 3.08 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.9 t -135.85 114.95 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -56.31 152.43 23.45 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 167.33 24.7 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.719 2.279 . . . . 0.0 112.306 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.2 t -96.25 48.77 1.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -102.72 105.51 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -158.83 123.19 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.438 ' ND2' ' OE1' ' A' ' 22' ' ' GLN . 29.4 t-20 51.08 44.5 28.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 66.9 m -128.61 -50.37 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -43.48 -51.71 6.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -81.5 176.43 9.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.5 t -66.43 140.09 58.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.5 m -104.41 31.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG21 ' CD2' ' A' ' 38' ' ' LEU . 87.7 t -126.4 -47.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.071 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.3 p -117.07 -31.0 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' OE1' ' ND2' ' A' ' 14' ' ' ASN . 34.9 mt-30 58.89 42.28 19.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -132.94 -33.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.69 153.91 17.21 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.5 m -78.7 126.11 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 111.086 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG12 ' C ' ' A' ' 38' ' ' LEU . 2.9 m -65.51 110.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.63 ' HA ' HD12 ' A' ' 62' ' ' LEU . 50.2 t30 -120.61 41.45 3.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 66.4 m95 -152.05 148.06 27.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG21 ' CE2' ' A' ' 60' ' ' PHE . 20.1 m -113.88 144.83 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.459 HD11 HD12 ' A' ' 38' ' ' LEU . 74.1 mt -108.24 74.34 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.2 mt -63.09 157.63 60.79 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.548 0.69 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.509 ' O ' ' N ' ' A' ' 34' ' ' ARG . 54.0 Cg_endo -69.81 -46.03 0.39 Allowed 'Cis proline' 0 C--O 1.231 0.134 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.325 -0.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.49 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -30.39 -38.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 32' ' ' PRO . 11.3 ttm180 56.85 54.98 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -103.52 103.27 13.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -70.16 83.45 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -134.74 38.62 3.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 43' ' ' VAL . 45.5 mt -159.34 128.86 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 m -68.96 179.87 1.7 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.572 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.34 -26.23 51.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.7 -42.64 2.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.1 m -61.56 -30.78 70.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.474 ' HA ' HD13 ' A' ' 38' ' ' LEU . 7.2 p -55.26 -33.14 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.76 -17.55 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -58.6 -37.56 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -128.22 132.11 48.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -83.18 20.56 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -151.75 156.46 40.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 29.3 t -68.66 122.93 86.57 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.627 0.727 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.62 7.8 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.642 2.228 . . . . 0.0 112.406 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.2 mtm -120.41 -65.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -89.03 -20.06 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 41.6 mmm-85 62.97 44.36 6.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -96.83 126.58 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -45.91 106.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.84 108.24 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 27.9 pt20 -90.74 -41.18 11.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -139.75 145.21 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.7 m -146.95 140.73 25.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.525 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.9 p90 -142.68 158.45 43.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.86 127.7 34.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.061 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' ' 27' ' ' ASN . 18.9 mt -48.94 -64.05 0.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.1 t -115.22 124.84 52.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.85 125.45 1.59 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 94.76 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.701 2.267 . . . . 0.0 112.348 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 90.5 p -93.18 81.85 4.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 93.4 p -66.27 -30.25 70.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.402 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -116.79 148.17 41.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.5 p -149.63 169.32 21.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.74 43.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.501 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -91.75 155.79 18.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.871 0.367 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -79.72 153.07 29.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.52 -114.35 3.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 m -115.16 73.26 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -128.68 150.76 75.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 170.41 16.72 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.263 . . . . 0.0 112.32 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 12' ' ' GLU . 39.6 m -98.44 48.59 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 11' ' ' SER . 1.2 tp10 34.19 38.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 11' ' ' SER . 43.7 mt-10 -47.68 132.1 14.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.9 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -168.56 175.42 6.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 93.9 p -87.54 -59.01 2.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.803 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' O ' ' CG2' ' A' ' 26' ' ' VAL . 9.5 ptpp? -48.65 -31.83 7.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -82.34 167.47 18.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.838 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.708 ' SG ' HG22 ' A' ' 20' ' ' VAL . 11.2 t -55.09 167.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 m -127.14 -36.03 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.723 HG11 ' CE1' ' A' ' 46' ' ' PHE . 29.3 m -62.39 -31.98 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.34 -43.87 2.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 63.61 39.86 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -128.42 -35.13 1.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.66 160.59 13.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.9 m -80.39 131.83 35.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 16' ' ' LYS . 2.7 m -78.29 121.95 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.086 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.45 ' ND2' ' HB1' ' A' ' 61' ' ' ALA . 34.9 t30 -127.76 33.7 4.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.504 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.9 m95 -144.42 136.59 26.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.622 HG21 ' CE2' ' A' ' 60' ' ' PHE . 19.0 m -100.95 143.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.498 HD11 HD12 ' A' ' 38' ' ' LEU . 40.8 mt -105.54 71.21 0.91 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.516 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.0 mt -59.81 156.98 31.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 53.4 Cg_endo -69.81 -44.09 0.55 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.258 -0.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.481 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -30.39 -40.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' PRO . 42.6 ttp180 63.21 55.0 1.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.4 m170 -106.92 110.76 23.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.487 ' CG2' HG12 ' A' ' 29' ' ' VAL . 37.6 p -83.64 78.45 9.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.3 p -130.52 34.29 4.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.498 HD12 HD11 ' A' ' 30' ' ' LEU . 95.7 mt -153.73 106.61 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.6 m -48.41 168.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.931 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 8.4 p-10 -54.25 -19.01 4.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.803 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.18 -17.22 16.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.522 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.515 ' HB3' HG21 ' A' ' 20' ' ' VAL . 26.4 m -93.63 -26.23 17.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.921 0.391 . . . . 0.0 110.925 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.448 HG23 HD21 ' A' ' 30' ' ' LEU . 9.4 p -58.67 -22.37 20.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.179 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.48 -30.47 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.945 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.73 -35.22 75.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.723 ' CE1' HG11 ' A' ' 20' ' ' VAL . 6.9 m-85 -120.6 94.62 4.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.961 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -51.97 -17.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.425 ' HA ' HG23 ' A' ' 56' ' ' VAL . 8.1 mt-30 -122.64 166.95 14.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 53' ' ' ARG . 18.1 t -80.23 119.57 76.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.632 0.73 . . . . 0.0 110.98 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 7.36 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.0 mtm -111.11 -53.71 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 17.0 p -106.04 -13.76 15.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 49' ' ' CYS . 10.6 mmt85 57.8 47.99 14.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -105.09 120.5 41.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -41.69 114.42 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.425 HG23 ' HA ' ' A' ' 48' ' ' GLN . 73.3 t -70.52 101.81 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 9.0 pt20 -83.59 -32.49 25.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 5.1 pt-20 -148.31 143.87 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.7 p -143.68 122.68 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.622 ' CE2' HG21 ' A' ' 29' ' ' VAL . 4.4 p90 -124.27 151.92 43.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.835 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.45 ' HB1' ' ND2' ' A' ' 27' ' ' ASN . . . -84.22 117.95 23.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.064 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ALA . 29.8 mt -33.39 -49.21 0.27 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.2 p -48.87 102.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.827 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.78 155.64 21.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 89.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.622 2.214 . . . . 0.0 112.373 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' SER . 22.8 t -106.93 167.11 10.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.804 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' SER . 12.6 t -36.57 -61.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.499 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 t 63.35 42.91 6.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.4 m -45.6 110.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.23 143.87 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.6 p -76.77 169.39 18.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 p -112.33 98.06 7.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.5 -106.63 2.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.8 p -173.87 147.43 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 111.081 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -54.68 151.53 14.78 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.586 0.708 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -29.17 24.18 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.671 2.248 . . . . 0.0 112.407 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 t 69.9 54.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.39 146.03 26.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -122.04 158.62 28.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -146.95 144.37 29.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 67.3 m -99.35 130.49 45.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.24 42.74 3.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -138.93 149.33 44.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.626 ' SG ' HG22 ' A' ' 20' ' ' VAL . 13.7 t -65.83 164.07 15.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.543 HG22 ' HB2' ' A' ' 37' ' ' CYS . 28.0 m -120.07 -38.57 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.626 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.2 m -63.2 -33.85 63.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.0 p -125.04 -26.85 3.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 43.15 39.74 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -125.82 -38.01 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -103.26 164.59 15.73 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.499 ' O ' HG23 ' A' ' 25' ' ' THR . 15.1 t -83.94 123.15 29.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.5 m -73.33 123.04 27.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -127.32 32.53 5.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' O ' HG22 ' A' ' 36' ' ' THR . 74.6 m95 -145.78 153.27 40.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG12 ' CG2' ' A' ' 36' ' ' THR . 31.0 m -120.53 146.54 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.602 ' HB3' HG22 ' A' ' 56' ' ' VAL . 24.7 mt -105.83 73.91 1.03 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.514 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 8.1 mt -61.18 157.88 40.13 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.595 0.712 . . . . 0.0 110.938 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.1 Cg_endo -69.67 -45.5 0.42 Allowed 'Cis proline' 0 C--O 1.232 0.186 0 C-N-CA 122.635 -1.819 . . . . 0.0 112.4 -0.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.5 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.6 -39.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' PRO . 7.8 ttm105 59.97 55.06 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.1 m170 -103.63 108.76 20.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.551 ' CG2' HG12 ' A' ' 29' ' ' VAL . 32.8 p -78.58 81.42 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.119 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.543 ' HB2' HG22 ' A' ' 19' ' ' VAL . 21.2 p -129.98 28.84 5.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD12 HD11 ' A' ' 30' ' ' LEU . 89.2 mt -150.02 127.6 11.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' GLY . 55.7 m -71.08 169.71 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.513 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 6.6 p-10 -42.32 -24.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.944 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 39' ' ' CYS . . . -100.98 -55.46 0.93 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.505 ' HB3' HG21 ' A' ' 20' ' ' VAL . 17.2 m -47.7 -22.48 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.896 0.379 . . . . 0.0 110.854 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.7 p -53.68 -36.22 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -92.73 -18.31 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.456 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 5.2 m-85 -57.78 -39.92 78.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.61 ' CZ ' HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -131.15 94.04 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 49.7 tp60 -44.37 -21.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' PHE . 30.1 mt-30 -110.86 171.49 7.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 12.8 t -84.36 121.31 75.18 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.86 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 8.43 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.697 2.265 . . . . 0.0 112.327 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.9 mtp -116.82 -59.29 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.7 p -98.56 -19.35 17.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.0 mmt180 65.43 43.85 3.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -99.66 130.58 45.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -52.13 105.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.602 HG22 ' HB3' ' A' ' 30' ' ' LEU . 98.0 t -63.69 101.75 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -85.35 -41.35 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -136.22 144.44 44.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.8 t -146.93 123.9 11.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.955 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.526 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.8 p90 -126.21 148.48 49.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.17 119.24 21.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.472 HD11 HG21 ' A' ' 36' ' ' THR . 45.2 mt -38.32 -59.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.948 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 t -129.18 159.48 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -161.96 153.44 24.13 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.435 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 119.83 6.71 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.654 2.236 . . . . 0.0 112.376 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.0 t -117.09 149.02 41.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.5 t -99.86 99.4 10.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.116 -0.824 . . . . 0.0 112.474 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -121.75 -48.6 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -152.95 162.81 40.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.98 71.57 0.25 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.2 m -111.05 122.58 48.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 t -168.36 135.17 2.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.32 58.21 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.434 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 8' ' ' VAL . 29.9 m -103.18 105.65 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.157 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -151.46 152.49 30.83 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.734 0.778 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 172.41 12.69 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 t -91.84 52.98 2.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -151.16 153.71 35.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -103.86 145.66 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -121.62 84.09 2.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.1 m -125.74 -50.46 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 44.29 41.78 4.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.941 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -132.48 141.25 48.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.2 t -61.21 147.49 44.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.1 m -106.25 -26.87 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.68 HG21 ' CE1' ' A' ' 46' ' ' PHE . 42.3 t -63.0 -56.97 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.5 p -101.82 -36.63 8.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 64.57 42.46 4.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -134.39 -44.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -97.65 158.35 20.87 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.2 m -81.4 131.39 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.801 0.334 . . . . 0.0 111.09 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.2 m -76.73 115.89 19.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -123.39 39.4 3.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.603 ' O ' HG22 ' A' ' 36' ' ' THR . 67.6 m95 -148.6 140.13 23.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG21 ' CE2' ' A' ' 60' ' ' PHE . 21.3 m -104.69 139.34 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.444 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 25.0 mt -101.73 76.66 1.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.521 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 10.4 mt -61.93 156.16 58.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.883 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.4 Cg_endo -69.69 -47.84 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.365 -0.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.501 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -29.5 -39.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 32' ' ' PRO . 21.4 ttp180 61.4 54.73 3.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -104.39 112.53 25.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 28' ' ' TRP . 24.1 p -81.29 84.4 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.8 p -133.79 35.33 3.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.2 mt -154.24 115.54 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.3 m -56.03 165.3 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.511 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.0 p-10 -41.83 -29.81 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.48 -53.45 1.33 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.404 ' HA ' ' CD1' ' A' ' 45' ' ' TYR . 9.8 m -47.66 -22.32 0.49 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.347 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 40' ' ' ASP . 14.7 p -56.54 -36.7 48.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -88.38 -18.97 27.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.404 ' CD1' ' HA ' ' A' ' 42' ' ' CYS . 5.3 m-85 -59.6 -37.58 78.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.68 ' CE1' HG21 ' A' ' 20' ' ' VAL . 1.8 m-85 -126.74 130.86 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -89.36 16.73 7.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -156.36 135.03 11.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.8 t -47.32 116.8 4.48 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.26 1.04 Allowed 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.685 2.257 . . . . 0.0 112.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.5 mtm -114.06 -62.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -93.26 -20.97 19.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.7 mmm-85 64.88 52.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -107.93 119.92 40.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.796 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -39.44 110.72 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.58 105.07 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.453 ' CD ' ' OE1' ' A' ' 58' ' ' GLU . 14.4 pt20 -90.68 -33.62 15.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.467 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 3.9 pt-20 -145.02 142.1 29.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.3 p -147.17 129.58 15.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.808 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 6.1 p90 -132.9 148.87 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.597 ' HB2' ' CE2' ' A' ' 28' ' ' TRP . . . -84.03 120.39 26.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD11 HG21 ' A' ' 36' ' ' THR . 23.6 mt -45.43 -61.25 1.75 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.7 t -124.71 105.65 9.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.445 ' C ' ' H ' ' A' ' 66' ' ' SER . . . -179.12 152.98 11.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 66' ' ' SER . 54.5 Cg_endo -69.64 13.94 0.26 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.672 2.248 . . . . 0.0 112.395 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.513 ' C ' ' O ' ' A' ' 65' ' ' PRO . 2.9 m -28.87 -62.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.787 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -77.18 -66.02 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.462 -179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 t -173.04 131.34 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -165.29 170.17 15.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.54 148.61 20.24 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -65.31 98.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 m -125.62 43.31 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.23 -39.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 8' ' ' VAL . 29.2 m -101.36 106.68 19.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.813 0.339 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -92.75 153.26 42.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.633 0.73 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 178.43 4.56 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.393 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.8 m -98.2 45.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -101.54 36.53 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -120.74 163.78 17.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -47.9 146.95 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -98.14 -53.73 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -79.38 44.17 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -104.2 176.03 5.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.849 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 44.2 t -73.38 130.89 41.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 19' ' ' VAL . 10.8 m -96.77 33.48 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.416 HG21 ' CD2' ' A' ' 38' ' ' LEU . 77.4 t -126.67 -56.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.049 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -105.56 -32.96 8.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 61.37 44.49 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -132.52 -38.37 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.53 162.06 12.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.448 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.4 t -87.29 128.09 35.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.817 0.342 . . . . 0.0 111.151 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.49 HG12 ' C ' ' A' ' 38' ' ' LEU . 13.9 m -69.32 127.55 31.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -131.97 35.28 3.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.8 m95 -144.75 138.47 27.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.853 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.557 HG12 ' CG2' ' A' ' 36' ' ' THR . 20.3 m -105.59 130.02 57.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.132 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 80.2 mt -92.46 79.98 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.683 HD11 ' CE2' ' A' ' 60' ' ' PHE . 6.1 mt -64.09 158.31 64.22 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.628 0.728 . . . . 0.0 110.864 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.517 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.4 Cg_endo -69.77 -48.28 0.28 Allowed 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.307 -0.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.72 -40.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' N ' ' O ' ' A' ' 32' ' ' PRO . 10.8 ttt180 62.4 54.54 2.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' HB3' ' HE2' ' A' ' 51' ' ' MET . 63.5 m170 -103.71 107.27 18.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.557 ' CG2' HG12 ' A' ' 29' ' ' VAL . 41.5 p -77.65 86.5 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.096 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.1 m -134.9 36.62 3.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.49 ' C ' HG12 ' A' ' 26' ' ' VAL . 56.1 mt -155.76 121.44 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.817 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 16.8 m -61.71 162.25 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.825 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.543 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 3.2 m-20 -42.32 -26.64 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 -49.12 2.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.423 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.6 m -59.24 -16.58 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 40' ' ' ASP . 7.6 p -58.04 -45.0 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -86.33 -15.59 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.859 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -57.89 -39.09 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.967 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -128.79 125.95 38.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -79.64 32.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.47 ' HA ' HG23 ' A' ' 56' ' ' VAL . 26.9 mt-30 -158.61 174.79 14.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 16.6 t -87.18 120.19 71.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.742 . . . . 0.0 110.82 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 8.72 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.416 ' HE2' ' HB3' ' A' ' 35' ' ' HIS . 8.3 mtm -119.24 -63.11 1.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 20.0 p -97.23 -16.06 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmm180 62.59 46.04 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -97.05 127.26 42.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -45.18 112.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' ' 48' ' ' GLN . 89.8 t -72.97 107.13 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -95.3 -34.01 12.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -143.93 145.32 32.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 74.6 m -148.66 128.95 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.683 ' CE2' HD11 ' A' ' 31' ' ' LEU . 5.3 p90 -131.46 146.54 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.18 122.93 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.3 mt -36.9 -57.36 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -57.57 108.29 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 66' ' ' SER . . . -51.7 -173.07 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.452 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 10.4 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.638 2.225 . . . . 0.0 112.322 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 64' ' ' GLY . 20.1 m -85.67 83.25 7.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.1 t -110.58 -46.85 3.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.152 -0.804 . . . . 0.0 112.41 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -141.36 144.2 34.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.876 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 4' ' ' GLY . 92.0 p -88.67 176.86 6.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.41 119.71 0.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -87.93 97.23 10.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.7 m -71.68 133.36 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLU . . . -162.11 -93.38 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 8' ' ' VAL . 11.7 m -60.94 76.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 111.148 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 7' ' ' GLY . 18.2 pt-20 -152.96 139.18 12.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.632 0.73 . . . . 0.0 110.94 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -50.76 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.737 2.291 . . . . 0.0 112.313 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.5 m 66.04 47.01 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.812 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.46 141.73 28.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -106.83 138.44 43.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -131.73 110.81 11.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 60.1 m -98.74 111.09 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.783 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.2 mtmm -113.63 41.86 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -149.85 177.2 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.709 ' SG ' HG22 ' A' ' 20' ' ' VAL . 14.7 t -59.64 165.1 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.7 m -123.85 -36.75 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.709 HG22 ' SG ' ' A' ' 18' ' ' CYS . 17.0 m -61.68 -33.35 57.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.168 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -124.41 -41.92 2.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 61.92 43.76 8.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -129.56 -39.29 1.48 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -104.77 162.44 14.77 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' HG23 ' A' ' 25' ' ' THR . 8.6 t -82.81 124.63 30.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 m -73.37 126.47 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.119 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -130.45 30.61 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.483 ' O ' HG22 ' A' ' 36' ' ' THR . 79.9 m95 -142.47 141.88 32.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.56 HG12 ' CG2' ' A' ' 36' ' ' THR . 25.8 m -109.03 137.74 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 HD12 ' A' ' 38' ' ' LEU . 48.4 mt -97.68 76.43 2.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.4 mt -66.01 157.85 78.69 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.54 0.685 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.524 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.1 Cg_endo -69.77 -47.02 0.33 Allowed 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.682 -1.799 . . . . 0.0 112.326 -0.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.524 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -27.33 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.868 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 32' ' ' PRO . 58.4 ttp85 64.31 55.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -106.74 99.04 8.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.56 ' CG2' HG12 ' A' ' 29' ' ' VAL . 32.4 p -70.62 82.2 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.5 p -131.11 32.56 4.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD12 HD11 ' A' ' 30' ' ' LEU . 93.8 mt -152.22 117.39 5.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.8 m -57.15 178.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 7.2 p-10 -56.6 -15.17 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.75 -40.16 1.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.522 ' HB3' HG21 ' A' ' 20' ' ' VAL . 11.4 m -65.43 -14.2 60.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 0.0 110.912 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.47 -31.66 54.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.151 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.0 pttm -94.39 -14.04 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.28 -36.11 83.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.542 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -130.51 96.39 4.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -47.63 -19.39 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -115.72 168.35 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 19.3 t -81.78 120.78 78.53 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.641 0.734 . . . . 0.0 110.832 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 7.56 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.621 2.214 . . . . 0.0 112.355 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 34.6 mtp -116.2 -59.33 1.99 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -97.73 -21.26 17.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 65.27 46.38 2.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -102.98 122.38 44.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -44.29 107.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.9 t -66.72 104.37 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -90.02 -32.41 16.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -145.49 144.87 30.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 90.7 p -148.06 122.1 9.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 3.3 p90 -122.09 156.72 32.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.0 127.89 33.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.1 mt -42.18 -47.11 4.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.952 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.7 p -103.24 123.67 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.45 118.01 4.29 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.464 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 -23.2 31.11 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.258 . . . . 0.0 112.369 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.5 p -117.2 99.99 7.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 53.2 p -59.5 154.11 18.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.152 -0.805 . . . . 0.0 112.495 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -72.04 109.19 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.867 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -148.85 146.8 28.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.4 146.28 18.04 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.526 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -135.69 126.83 28.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.7 p -71.16 131.3 43.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.835 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.56 -44.14 97.01 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.399 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 8' ' ' VAL . 34.9 m -122.06 115.96 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.77 0.319 . . . . 0.0 111.174 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -47.17 150.46 1.46 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -17.51 37.68 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.737 2.292 . . . . 0.0 112.373 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.2 m 68.3 48.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -167.35 125.31 1.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 81.6 mm-40 -125.88 130.16 50.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -78.2 46.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' LYS . 5.6 p -91.51 -58.65 2.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.794 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' SER . 7.6 ptmt 35.59 41.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -120.44 -62.18 1.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.667 ' SG ' HG22 ' A' ' 20' ' ' VAL . 38.4 t -168.46 164.49 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.418 ' CG2' ' HB2' ' A' ' 37' ' ' CYS . 33.7 m -109.75 -36.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.667 HG22 ' SG ' ' A' ' 18' ' ' CYS . 18.2 m -74.31 -35.19 39.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.1 p -127.91 -19.13 4.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.441 ' N ' ' HB3' ' A' ' 18' ' ' CYS . 4.9 pt20 39.36 35.97 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -118.81 -29.98 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -113.05 166.49 12.14 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.6 t -84.38 129.58 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.488 HG12 ' C ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -77.93 112.58 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.495 ' ND2' ' HB1' ' A' ' 61' ' ' ALA . 16.5 t30 -124.15 39.51 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 81.1 m95 -152.17 120.98 6.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.935 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.522 HG12 HG23 ' A' ' 36' ' ' THR . 20.9 m -88.72 139.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.13 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.673 HD11 HD12 ' A' ' 38' ' ' LEU . 53.3 mt -100.66 76.37 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.511 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -61.11 157.55 41.75 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.553 0.692 . . . . 0.0 110.903 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.515 ' O ' ' C ' ' A' ' 33' ' ' CYS . 53.8 Cg_endo -69.75 -47.01 0.33 Allowed 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.652 -1.812 . . . . 0.0 112.336 -0.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.515 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -28.55 -42.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' PRO . 38.8 ttp180 65.67 54.88 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -107.46 115.8 30.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.522 HG23 HG12 ' A' ' 29' ' ' VAL . 11.3 p -85.29 79.76 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.167 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.418 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 22.2 p -127.19 33.03 4.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.673 HD12 HD11 ' A' ' 30' ' ' LEU . 91.8 mt -155.97 115.43 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 18' ' ' CYS . 57.2 m -53.16 175.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.813 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.577 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 2.9 p30 -46.98 -32.72 4.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.25 -54.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.562 ' HB3' HG21 ' A' ' 20' ' ' VAL . 27.9 m -46.14 -24.42 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 40' ' ' ASP . 13.4 p -56.66 -38.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' N ' HG13 ' A' ' 43' ' ' VAL . 13.2 pttt -88.98 -16.98 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.46 ' HB3' ' CE1' ' A' ' 46' ' ' PHE . 3.7 m-85 -60.6 -38.26 84.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.544 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -129.75 93.46 3.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -42.91 -22.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' PHE . 18.4 mt-30 -110.76 170.3 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 17.1 t -84.66 121.22 74.71 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.588 0.709 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 6.63 1.23 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.731 2.287 . . . . 0.0 112.367 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 28.1 mtp -114.41 -60.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.91 -21.78 17.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 18.1 mmm180 64.97 51.45 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -110.83 127.54 55.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -45.95 116.32 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.3 t -76.82 103.25 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 4.6 pt20 -87.5 -32.53 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.476 ' HG3' ' CD1' ' A' ' 31' ' ' LEU . 8.5 pt-20 -145.49 148.14 32.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -148.27 123.87 10.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.1 p90 -129.53 139.72 51.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.495 ' HB1' ' ND2' ' A' ' 27' ' ' ASN . . . -72.95 133.36 44.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.6 mt -48.57 -52.73 21.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.7 t -80.66 49.54 1.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 47.23 -154.59 1.05 Allowed Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.465 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.25 68.96 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.655 2.236 . . . . 0.0 112.364 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.1 t -69.96 83.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.9 m -128.87 172.65 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 CA-C-O 119.052 -0.86 . . . . 0.0 112.521 179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -50.72 142.47 11.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 p -118.41 126.05 51.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.62 101.03 0.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.475 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -145.34 147.2 32.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.836 0.351 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.5 p 39.28 43.27 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.94 -178.48 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 5.2 m -68.93 78.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.342 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -54.19 152.94 10.22 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.59 0.71 . . . . 0.0 110.941 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -174.29 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.5 m -86.46 43.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -92.58 28.42 2.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -146.19 156.98 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 29.0 p-10 -82.2 92.16 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.1 m -109.87 28.77 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.3 pttp -91.35 40.09 1.02 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -131.54 154.95 48.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 39.4 t -72.66 136.95 45.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.2 m -103.64 33.74 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.0 t -130.54 -47.02 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.7 p -114.5 -37.07 4.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 63.95 44.1 4.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -134.19 -33.98 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -115.27 156.83 15.4 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -80.76 136.86 36.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 HG12 ' C ' ' A' ' 38' ' ' LEU . 9.6 m -81.21 121.83 35.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -129.3 38.23 3.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.57 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 74.1 m95 -145.78 137.12 24.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG12 HG23 ' A' ' 36' ' ' THR . 33.8 m -101.42 131.82 48.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 71.5 mt -92.33 71.48 5.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.507 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 12.0 mt -58.92 158.19 17.61 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.551 0.691 . . . . 0.0 110.957 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.537 ' O ' ' C ' ' A' ' 33' ' ' CYS . 54.1 Cg_endo -69.8 -46.54 0.36 Allowed 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.607 -1.83 . . . . 0.0 112.367 -0.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -26.99 -43.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 32' ' ' PRO . 15.8 ttp180 67.58 54.91 0.65 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -110.13 112.31 24.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 28' ' ' TRP . 14.3 p -81.34 84.43 6.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 p -133.79 37.48 3.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' C ' HG12 ' A' ' 26' ' ' VAL . 44.5 mt -158.22 117.37 3.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.951 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 30.3 m -56.08 166.02 0.87 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.626 ' O ' HG12 ' A' ' 43' ' ' VAL . 5.2 t70 -42.95 -33.91 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.861 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.33 -48.99 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 30.7 m -53.66 -22.25 8.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 0.0 110.83 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 40' ' ' ASP . 10.1 p -57.51 -34.56 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.206 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -90.07 -21.28 22.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -55.83 -41.9 74.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -120.97 129.37 53.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 -87.45 16.61 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -156.17 133.43 10.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.1 t -45.97 116.94 3.65 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.649 0.737 . . . . 0.0 110.838 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 7.93 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.63 2.22 . . . . 0.0 112.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 30.6 mtm -116.3 -64.28 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.976 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.9 p -90.88 -19.25 23.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 15.5 mmm180 66.54 43.82 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -97.43 126.74 42.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -48.47 108.28 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.21 106.9 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -96.23 -33.51 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.447 ' HG3' ' HB2' ' A' ' 31' ' ' LEU . 7.7 pt-20 -144.44 147.12 32.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.7 p -148.79 124.29 10.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' ' 60' ' ' PHE . 4.5 p90 -123.98 147.66 47.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.23 129.24 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 30.1 mt -47.91 -63.69 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 t 51.1 43.28 29.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' ' H ' ' A' ' 66' ' ' SER . . . -62.76 178.59 5.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.456 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 9.45 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.72 2.28 . . . . 0.0 112.289 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 64' ' ' GLY . 2.5 t -105.17 114.8 29.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.7 m -39.27 125.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.82 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.17 -0.794 . . . . 0.0 112.523 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 p -174.89 169.39 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.898 0.38 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -170.33 173.09 5.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.806 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -160.51 -137.71 2.27 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.528 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.1 m -36.15 113.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 t -94.45 41.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.13 160.82 9.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.536 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.7 t -143.71 129.55 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.359 . . . . 0.0 111.069 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -44.09 152.12 0.5 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -177.57 1.94 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.757 2.305 . . . . 0.0 112.322 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -104.02 42.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -137.76 124.19 20.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -54.42 140.13 34.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -115.72 116.64 28.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.8 m -121.8 26.11 8.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -127.51 43.56 3.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -169.04 159.32 9.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.69 ' SG ' HG22 ' A' ' 20' ' ' VAL . 13.4 t -65.31 166.37 10.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -128.16 -31.03 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.747 HG11 ' CE1' ' A' ' 46' ' ' PHE . 15.4 m -67.8 -34.62 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.2 p -118.99 -38.01 3.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 56.57 40.54 29.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -132.86 -34.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.04 -159.8 29.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.492 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.9 m -120.29 122.63 41.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.782 0.325 . . . . 0.0 111.193 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.524 HG13 ' N ' ' A' ' 18' ' ' CYS . 4.0 m -67.95 119.71 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.1 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.571 ' ND2' ' HB1' ' A' ' 61' ' ' ALA . 42.2 t30 -133.77 41.23 3.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 40' ' ' ASP . 80.5 m95 -155.64 114.32 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.48 ' HB ' ' CG ' ' A' ' 34' ' ' ARG . 17.1 m -83.72 134.45 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.595 HD11 HD12 ' A' ' 38' ' ' LEU . 75.2 mt -96.02 81.42 3.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.523 ' HA ' ' C ' ' A' ' 32' ' ' PRO . 9.0 mt -65.64 157.12 80.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.591 0.71 . . . . 0.0 110.931 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 31' ' ' LEU . 54.6 Cg_endo -69.7 -47.82 0.29 Allowed 'Cis proline' 0 C--O 1.231 0.171 0 C-N-CA 122.764 -1.765 . . . . 0.0 112.303 -0.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.497 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -29.65 -39.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' A' ' 32' ' ' PRO . 31.4 ttt180 62.27 54.98 2.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -104.29 95.95 6.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.553 HG23 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -70.31 76.11 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.411 ' HA ' HG11 ' A' ' 26' ' ' VAL . 2.4 m -122.14 31.48 6.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.595 HD12 HD11 ' A' ' 30' ' ' LEU . 96.9 mt -149.67 120.89 7.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 58.5 m -63.28 165.36 7.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.561 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 5.6 p-10 -49.27 -20.04 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' A' ' 44' ' ' LYS . . . -105.7 -22.14 8.25 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' HB3' HG21 ' A' ' 20' ' ' VAL . 35.3 m -83.28 -36.79 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.804 0.335 . . . . 0.0 110.834 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.485 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 12.6 p -51.36 -21.21 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 45' ' ' TYR . 3.2 pttm -93.99 -27.97 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.414 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.3 m-85 -64.37 -28.92 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.747 ' CE1' HG11 ' A' ' 20' ' ' VAL . 1.3 m-85 -127.31 130.42 49.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -82.39 -19.29 39.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.467 ' HA ' HG23 ' A' ' 56' ' ' VAL . 27.3 mt-30 -118.37 168.99 10.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 22.5 t -73.97 120.73 82.8 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.586 0.707 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.528 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.6 Cg_endo -69.81 11.27 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.363 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.406 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.1 mtm -119.68 -60.73 1.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.5 p -100.04 -14.13 18.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 17.2 mmt180 62.77 49.92 3.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -101.27 126.49 48.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -47.51 108.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 48' ' ' GLN . 91.4 t -67.8 99.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 10.3 pt20 -85.85 -35.08 20.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 57' ' ' GLN . 5.3 pt-20 -145.77 146.42 31.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 53.4 m -148.44 150.22 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 2.6 p90 -153.84 153.54 32.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.571 ' HB1' ' ND2' ' A' ' 27' ' ' ASN . . . -81.62 129.95 34.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.3 mt -45.06 -42.84 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 t -109.5 141.2 42.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -38.08 123.1 1.23 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 2.61 3.39 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.638 2.225 . . . . 0.0 112.333 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.7 p -85.92 134.96 33.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.7 t -66.52 -47.02 74.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.492 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.6 p -49.36 114.87 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -113.3 121.77 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.802 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.06 132.98 7.83 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.428 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m 56.52 40.28 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.0 p -104.21 145.74 29.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.6 -60.86 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 p -174.75 145.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.792 0.329 . . . . 0.0 111.124 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.506 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 5.5 tt0 -41.28 141.69 1.04 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.506 ' HD2' ' CG ' ' A' ' 9' ' ' GLU . 53.3 Cg_endo -69.76 125.46 12.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.613 2.209 . . . . 0.0 112.285 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 p -78.83 55.26 1.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.761 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.79 119.56 22.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -108.63 161.39 15.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -84.21 42.16 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 61.2 p -63.65 -47.78 79.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 ptpp? -108.85 63.65 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -115.95 173.36 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.702 ' SG ' HG22 ' A' ' 20' ' ' VAL . 22.4 t -60.9 162.21 7.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.488 HG22 ' HB2' ' A' ' 37' ' ' CYS . 35.9 m -120.71 -38.75 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.079 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.702 HG22 ' SG ' ' A' ' 18' ' ' CYS . 16.9 m -59.51 -33.25 50.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.0 p -127.51 -26.37 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 44.5 39.04 2.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 -122.84 -40.05 2.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -106.46 164.18 13.52 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.3 t -81.31 131.11 35.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.79 0.329 . . . . 0.0 111.221 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.594 HG21 ' O ' ' A' ' 36' ' ' THR . 30.1 m -82.62 126.31 40.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -131.49 32.47 4.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.644 ' C ' HG23 ' A' ' 36' ' ' THR . 74.6 m95 -147.23 117.76 7.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.946 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG12 ' OG1' ' A' ' 36' ' ' THR . 23.0 m -87.7 143.33 11.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.179 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 38' ' ' LEU . 39.7 mt -102.54 79.96 1.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 32' ' ' PRO . 19.7 mt -63.2 158.46 55.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.614 0.721 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.582 ' O ' HD23 ' A' ' 31' ' ' LEU . 54.0 Cg_endo -69.67 -48.17 0.28 Allowed 'Cis proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.383 -0.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.514 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -28.19 -41.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.52 ' N ' ' O ' ' A' ' 32' ' ' PRO . 32.5 ttt180 69.11 52.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.806 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -102.6 103.63 13.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.644 HG23 ' C ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -77.82 46.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.488 ' HB2' HG22 ' A' ' 19' ' ' VAL . 25.6 p -92.77 39.25 1.03 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.753 HD12 HD11 ' A' ' 30' ' ' LEU . 99.4 mt -156.6 120.76 4.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 62.1 m -63.38 165.48 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 4.9 p-10 -41.03 -29.65 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.53 -44.29 2.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB3' HG21 ' A' ' 20' ' ' VAL . 9.4 m -58.85 -28.47 66.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.872 0.367 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.458 ' N ' ' HB3' ' A' ' 38' ' ' LEU . 6.2 p -50.61 -34.1 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -94.95 -17.27 22.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -59.34 -42.7 92.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.956 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.47 ' CE1' HG11 ' A' ' 20' ' ' VAL . 0.6 OUTLIER -125.05 97.62 5.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.837 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -45.97 -23.25 0.28 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -110.95 162.95 14.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 53' ' ' ARG . 11.7 t -73.29 118.24 67.06 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.529 0.681 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.561 ' HG3' HD21 ' A' ' 38' ' ' LEU . 53.2 Cg_endo -69.81 8.66 0.73 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 25.2 mtm -117.64 -60.88 1.76 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 27.2 p -96.39 -18.3 20.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 49' ' ' CYS . 22.1 mmt180 66.02 46.19 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -103.91 127.71 51.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.6 t80 -49.72 111.6 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.801 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.479 HG22 ' HB3' ' A' ' 30' ' ' LEU . 91.6 t -68.77 104.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.156 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -88.77 -39.12 14.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.409 ' HG3' ' HB2' ' A' ' 31' ' ' LEU . 9.1 pt-20 -139.76 141.36 36.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -145.41 133.2 21.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.476 ' C ' ' CD1' ' A' ' 60' ' ' PHE . 4.8 p90 -134.4 161.52 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.65 116.54 28.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.4 mt -40.24 -45.11 2.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.6 t -83.22 90.76 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.04 -157.36 26.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.456 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 93.96 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.281 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -95.25 99.25 11.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.9 m -157.1 170.73 21.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.43 179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_